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

C23H23N9O — CID 137056878

IUPAC2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3c2)c1
InChIInChI=1S/C23H23N9O/c1-31-5-7-32(8-6-31)18-3-4-25-22-20(18)27-23(28-22)19-17-10-15(12-26-21(17)30-29-19)14-9-16(33-2)13-24-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,25,27,28)(H,26,29,30)
InChIKeyDFGJOQJGGXZHAF-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.72
Rot. Bonds4

About 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

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 (PubChem CID 137056878) has the molecular formula C23H23N9O and a molecular weight of 441.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID137056878
Molecular FormulaC23H23N9O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3c2)c1
InChIInChI=1S/C23H23N9O/c1-31-5-7-32(8-6-31)18-3-4-25-22-20(18)27-23(28-22)19-17-10-15(12-26-21(17)30-29-19)14-9-16(33-2)13-24-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,25,27,28)(H,26,29,30)
InChIKeyDFGJOQJGGXZHAF-UHFFFAOYSA-N
XLogP2.72
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056885
3,3-dimethyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137056126
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 145037945
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056894
2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 136938039
5-(5-fluoro-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038352
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137102128
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
N-[5-[7-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137134437
2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 137042007
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
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056958

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(N6CCN(C)CC6)c5[nH]4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is DFGJOQJGGXZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O/c1-31-5-7-32(8-6-31)18-3-4-25-22-20(18)27-23(28-22)19-17-10-15(12-26-21(17)30-29-19)14-9-16(33-2)13-24-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,25,27,28)(H,26,29,30).
What are the key properties of 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?
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 has a molecular weight of 441.50 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137056878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).