3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

C25H18FN7O — CID 136945955

IUPAC3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(C)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H18FN7O/c1-13-5-14(7-17(26)6-13)21-23-20(3-4-28-21)30-25(31-23)22-19-9-16(11-29-24(19)33-32-22)15-8-18(34-2)12-27-10-15/h3-12H,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyFNKCKDOXYUWZFJ-UHFFFAOYSA-N
MW451.47 g/mol
LogP5.08
Rot. Bonds4

About 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine

3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 136945955) has the molecular formula C25H18FN7O and a molecular weight of 451.47 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID136945955
Molecular FormulaC25H18FN7O
Molecular Weight451.47 g/mol
Exact Mass451.16
IUPAC Name3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(C)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H18FN7O/c1-13-5-14(7-17(26)6-13)21-23-20(3-4-28-21)30-25(31-23)22-19-9-16(11-29-24(19)33-32-22)15-8-18(34-2)12-27-10-15/h3-12H,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyFNKCKDOXYUWZFJ-UHFFFAOYSA-N
XLogP5.08
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 136945956
N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136946308
3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136945916
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136946338
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137054932
3-[4-(3-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 145038789
3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136945890
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine
CID 136945941
2-[3-fluoro-5-[2-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
CID 136945834
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136945939
2-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136945860
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056894

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 136945955) is 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is COc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cc(C)cc(F)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is FNKCKDOXYUWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN7O/c1-13-5-14(7-17(26)6-13)21-23-20(3-4-28-21)30-25(31-23)22-19-9-16(11-29-24(19)33-32-22)15-8-18(34-2)12-27-10-15/h3-12H,1-2H3,(H,30,31)(H,29,32,33).
What are the key properties of 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 451.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 136945955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).