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

C18H13N7O — CID 137056894

IUPAC3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5ncccc5[nH]4)c3c2)c1
InChIInChI=1S/C18H13N7O/c1-26-12-5-10(7-19-9-12)11-6-13-15(24-25-16(13)21-8-11)18-22-14-3-2-4-20-17(14)23-18/h2-9H,1H3,(H,20,22,23)(H,21,24,25)
InChIKeySSQMLAOVGLRAFA-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.97
Rot. Bonds3

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

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056894) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056894
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5ncccc5[nH]4)c3c2)c1
InChIInChI=1S/C18H13N7O/c1-26-12-5-10(7-19-9-12)11-6-13-15(24-25-16(13)21-8-11)18-22-14-3-2-4-20-17(14)23-18/h2-9H,1H3,(H,20,22,23)(H,21,24,25)
InChIKeySSQMLAOVGLRAFA-UHFFFAOYSA-N
XLogP2.97
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056908
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056909
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
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145358
2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137056878
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
N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137055333
5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 136946057
2-[[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136946084
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
3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 136946056
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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine (CID 137056894) is 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is COc1cncc(-c2cnc3n[nH]c(-c4nc5ncccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SSQMLAOVGLRAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c1-26-12-5-10(7-19-9-12)11-6-13-15(24-25-16(13)21-8-11)18-22-14-3-2-4-20-17(14)23-18/h2-9H,1H3,(H,20,22,23)(H,21,24,25).
What are the key properties of 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine?
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 343.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).