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3-fluoro-6-methyl-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
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ChemBase ID:
323452
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Molecular Formular:
C14H17FN4O
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Molecular Mass:
276.3093832
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Monoisotopic Mass:
276.1386394
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SMILES and InChIs
SMILES:
c1(c(n2c(n1)ccc(c2)C)F)C(=O)N[C@H]1CNCCC1
Canonical SMILES:
Cc1ccc2n(c1)c(F)c(n2)C(=O)N[C@@H]1CCCNC1
InChI:
InChI=1S/C14H17FN4O/c1-9-4-5-11-18-12(13(15)19(11)8-9)14(20)17-10-3-2-6-16-7-10/h4-5,8,10,16H,2-3,6-7H2,1H3,(H,17,20)/t10-/m1/s1
InChIKey:
WTDIIHDCLACKKD-SNVBAGLBSA-N
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Cite this record
CBID:323452 http://www.chembase.cn/molecule-323452.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-fluoro-6-methyl-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
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IUPAC Traditional name
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3-fluoro-6-methyl-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
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Synonyms
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3-fluoro-6-methyl-N-[(3R)-piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
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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)
Acid pKa
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11.694173
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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-2.310021
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LogD (pH = 7.4)
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-1.2294648
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Log P
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0.8657647
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Molar Refractivity
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74.6872 cm3
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Polarizability
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27.601017 Å3
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Polar Surface Area
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58.43 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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2
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Log P
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0.99
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LOG S
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-2.06
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Polar Surface Area
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58.43 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent