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4-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine

ChemBase ID: 865729
Molecular Formular: C24H20N4O
Molecular Mass: 380.4418
Monoisotopic Mass: 380.16371128
SMILES and InChIs

SMILES:
c12c(n[nH]c2CCN(C1)C(=O)c1ccncc1)c1ccc(cc1)c1ccccc1
Canonical SMILES:
O=C(N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)c1ccncc1
InChI:
InChI=1S/C24H20N4O/c29-24(20-10-13-25-14-11-20)28-15-12-22-21(16-28)23(27-26-22)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,13-14H,12,15-16H2,(H,26,27)
InChIKey:
WZOZIDSZVJJUCQ-UHFFFAOYSA-N

Cite this record

CBID:865729 http://www.chembase.cn/molecule-865729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
IUPAC Traditional name
4-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
Synonyms
3-biphenyl-4-yl-5-isonicotinoyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66727255 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.064698  H Acceptors
H Donor LogD (pH = 5.5) 3.490814 
LogD (pH = 7.4) 3.4936755  Log P 3.4937122 
Molar Refractivity 114.2708 cm3 Polarizability 45.439167 Å3
Polar Surface Area 61.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.73  LOG S -4.3 
Polar Surface Area 61.88 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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