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5-[1-(4-methylphenyl)cyclopropanecarbonyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

ChemBase ID: 370923
Molecular Formular: C18H19N3O3
Molecular Mass: 325.36176
Monoisotopic Mass: 325.14264148
SMILES and InChIs

SMILES:
N1(C(=O)C2(CC2)c2ccc(cc2)C)C(Cc2c(C1)nc[nH]2)C(=O)O
Canonical SMILES:
OC(=O)C1Cc2[nH]cnc2CN1C(=O)C1(CC1)c1ccc(cc1)C
InChI:
InChI=1S/C18H19N3O3/c1-11-2-4-12(5-3-11)18(6-7-18)17(24)21-9-14-13(19-10-20-14)8-15(21)16(22)23/h2-5,10,15H,6-9H2,1H3,(H,19,20)(H,22,23)
InChIKey:
FFZMHIHLCRMOND-UHFFFAOYSA-N

Cite this record

CBID:370923 http://www.chembase.cn/molecule-370923.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[1-(4-methylphenyl)cyclopropanecarbonyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
IUPAC Traditional name
5-[1-(4-methylphenyl)cyclopropanecarbonyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
Synonyms
5-{[1-(4-methylphenyl)cyclopropyl]carbonyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 3.6051497  H Acceptors
H Donor LogD (pH = 5.5) 0.14649393 
LogD (pH = 7.4) -1.079162  Log P 0.22542465 
Molar Refractivity 87.4683 cm3 Polarizability 33.516235 Å3
Polar Surface Area 86.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.21  LOG S -2.61 
Polar Surface Area 86.29 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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