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

C25H20FN7O — CID 145038789

IUPAC3-[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
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5c(C6=CC(F)C(C)C=C6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H20FN7O/c1-13-3-4-14(9-19(13)26)21-23-20(5-6-28-21)30-25(31-23)22-18-8-16(11-29-24(18)33-32-22)15-7-17(34-2)12-27-10-15/h3-13,19H,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyHOOZZRGEQVDYNR-UHFFFAOYSA-N
MW453.48 g/mol
LogP4.89
Rot. Bonds4

About 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

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 (PubChem CID 145038789) has the molecular formula C25H20FN7O and a molecular weight of 453.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID145038789
Molecular FormulaC25H20FN7O
Molecular Weight453.48 g/mol
Exact Mass453.17
IUPAC Name3-[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
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5c(C6=CC(F)C(C)C=C6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H20FN7O/c1-13-3-4-14(9-19(13)26)21-23-20(5-6-28-21)30-25(31-23)22-18-8-16(11-29-24(18)33-32-22)15-7-17(34-2)12-27-10-15/h3-13,19H,1-2H3,(H,30,31)(H,29,32,33)
InChIKeyHOOZZRGEQVDYNR-UHFFFAOYSA-N
XLogP4.89
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056894
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
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
2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136945570
5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137310956
5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136944990
2-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136945655
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-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
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137311070
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145358

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cncc(-c2cnc3n[nH]c(-c4nc5c(C6=CC(F)C(C)C=C6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is HOOZZRGEQVDYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O/c1-13-3-4-14(9-19(13)26)21-23-20(5-6-28-21)30-25(31-23)22-18-8-16(11-29-24(18)33-32-22)15-7-17(34-2)12-27-10-15/h3-13,19H,1-2H3,(H,30,31)(H,29,32,33).
What are the key properties of 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?
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 has a molecular weight of 453.48 g/mol, XLogP of 4.89, 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-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 is sourced from PubChem (CID 145038789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).