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4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine
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ChemBase ID:
340150
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Molecular Formular:
C26H26N6O3
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Molecular Mass:
470.52304
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Monoisotopic Mass:
470.20663872
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SMILES and InChIs
SMILES:
c1(c2c(n(n1)Cc1ccccc1)CCN(C(=O)c1nc3n(c1)cccc3)C2)C(=O)N1CCOCC1
Canonical SMILES:
O=C(c1nc2n(c1)cccc2)N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCOCC1
InChI:
InChI=1S/C26H26N6O3/c33-25(21-18-30-10-5-4-8-23(30)27-21)31-11-9-22-20(17-31)24(26(34)29-12-14-35-15-13-29)28-32(22)16-19-6-2-1-3-7-19/h1-8,10,18H,9,11-17H2
InChIKey:
MKINFLVKXVOMLO-UHFFFAOYSA-N
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Cite this record
CBID:340150 http://www.chembase.cn/molecule-340150.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine
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IUPAC Traditional name
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4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine
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Synonyms
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1-benzyl-5-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
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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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5
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H Donor
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0
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LogD (pH = 5.5)
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1.5122489
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LogD (pH = 7.4)
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1.5166723
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Log P
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1.5167289
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Molar Refractivity
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143.4366 cm3
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Polarizability
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48.873905 Å3
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Polar Surface Area
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84.97 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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7
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H Donor
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0
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Log P
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1.28
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LOG S
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-4.48
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Polar Surface Area
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84.97 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent