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4-{[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1H-imidazole
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ChemBase ID:
420182
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Molecular Formular:
C23H23N5
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Molecular Mass:
369.46222
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Monoisotopic Mass:
369.19534576
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SMILES and InChIs
SMILES:
c12c(n[nH]c1CCN(C2)Cc1nc[nH]c1)C(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)C(c1n[nH]c2c1CN(CC2)Cc1c[nH]cn1)c1ccccc1
InChI:
InChI=1S/C23H23N5/c1-3-7-17(8-4-1)22(18-9-5-2-6-10-18)23-20-15-28(12-11-21(20)26-27-23)14-19-13-24-16-25-19/h1-10,13,16,22H,11-12,14-15H2,(H,24,25)(H,26,27)
InChIKey:
IGWBIBGAHSALPN-UHFFFAOYSA-N
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Cite this record
CBID:420182 http://www.chembase.cn/molecule-420182.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-{[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1H-imidazole
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IUPAC Traditional name
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4-{[3-(diphenylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-1H-imidazole
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Synonyms
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3-(diphenylmethyl)-5-(1H-imidazol-4-ylmethyl)-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)
Acid pKa
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12.894096
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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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1.6259123
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LogD (pH = 7.4)
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3.0955174
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Log P
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3.27999
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Molar Refractivity
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112.6137 cm3
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Polarizability
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42.59015 Å3
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Polar Surface Area
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60.6 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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3
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H Donor
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2
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Log P
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3.0
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LOG S
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-4.3
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Polar Surface Area
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60.6 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