1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C18H16N6O — CID 32607487

IUPAC1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cn1
InChIInChI=1S/C18H16N6O/c1-23-12-16(10-20-23)22-18(25)15-7-14-9-21-24(17(14)19-8-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyNCOPUPZFYWCFAI-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.47
Rot. Bonds4

About 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 32607487) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID32607487
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cn1
InChIInChI=1S/C18H16N6O/c1-23-12-16(10-20-23)22-18(25)15-7-14-9-21-24(17(14)19-8-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyNCOPUPZFYWCFAI-UHFFFAOYSA-N
XLogP2.47
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 32607487) is 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cn1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cn1.
What is the InChIKey of 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NCOPUPZFYWCFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-23-12-16(10-20-23)22-18(25)15-7-14-9-21-24(17(14)19-8-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 32607487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).