1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine

C23H24N6O — CID 70811189

IUPAC1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4nccnc4N4CCCC4)cnc32)cc1
InChIInChI=1S/C23H24N6O/c1-16-20-13-18(21-23(25-10-9-24-21)28-11-3-4-12-28)14-26-22(20)29(27-16)15-17-5-7-19(30-2)8-6-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyVNPJSOGFNBSIRO-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.85
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine

1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 70811189) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID70811189
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4nccnc4N4CCCC4)cnc32)cc1
InChIInChI=1S/C23H24N6O/c1-16-20-13-18(21-23(25-10-9-24-21)28-11-3-4-12-28)14-26-22(20)29(27-16)15-17-5-7-19(30-2)8-6-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyVNPJSOGFNBSIRO-UHFFFAOYSA-N
XLogP3.85
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Methyl substituted pyrazole, 27
CID 23648674

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine (CID 70811189) is 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine is COc1ccc(Cn2nc(C)c3cc(-c4nccnc4N4CCCC4)cnc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is VNPJSOGFNBSIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-20-13-18(21-23(25-10-9-24-21)28-11-3-4-12-28)14-26-22(20)29(27-16)15-17-5-7-19(30-2)8-6-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine?
1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 400.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-(3-pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 70811189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).