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(1R,2S)-N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-phenylcyclohexan-1-amine
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ChemBase ID:
341367
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Molecular Formular:
C26H32N4O2
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Molecular Mass:
432.55788
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Monoisotopic Mass:
432.25252628
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SMILES and InChIs
SMILES:
c1(c(n2c(n1)c(ccc2)C)CN[C@H]1[C@H](c2ccccc2)CCCC1)C(=O)N1CCOCC1
Canonical SMILES:
O=C(c1nc2n(c1CN[C@@H]1CCCC[C@H]1c1ccccc1)cccc2C)N1CCOCC1
InChI:
InChI=1S/C26H32N4O2/c1-19-8-7-13-30-23(24(28-25(19)30)26(31)29-14-16-32-17-15-29)18-27-22-12-6-5-11-21(22)20-9-3-2-4-10-20/h2-4,7-10,13,21-22,27H,5-6,11-12,14-18H2,1H3/t21-,22+/m0/s1
InChIKey:
FYQKYHDWTFLVLN-FCHUYYIVSA-N
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Cite this record
CBID:341367 http://www.chembase.cn/molecule-341367.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,2S)-N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-phenylcyclohexan-1-amine
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IUPAC Traditional name
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(1R,2S)-N-{[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-phenylcyclohexan-1-amine
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Synonyms
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(1R*,2S*)-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-phenylcyclohexanamine
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.39125356
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LogD (pH = 7.4)
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1.6843191
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Log P
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3.5147104
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Molar Refractivity
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127.2582 cm3
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Polarizability
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48.423344 Å3
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Polar Surface Area
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58.87 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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3.64
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LOG S
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-4.51
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Polar Surface Area
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58.87 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent