1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C17H18N6O — CID 75467643

IUPAC1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nccc(NC(=O)c2cnc3c(cnn3C(C)C3CC3)c2)n1
InChIInChI=1S/C17H18N6O/c1-10(12-3-4-12)23-16-13(9-20-23)7-14(8-19-16)17(24)22-15-5-6-18-11(2)21-15/h5-10,12H,3-4H2,1-2H3,(H,18,21,22,24)
InChIKeyZZSWWUZBNBYDBT-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.75
Rot. Bonds4

About 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 75467643) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID75467643
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nccc(NC(=O)c2cnc3c(cnn3C(C)C3CC3)c2)n1
InChIInChI=1S/C17H18N6O/c1-10(12-3-4-12)23-16-13(9-20-23)7-14(8-19-16)17(24)22-15-5-6-18-11(2)21-15/h5-10,12H,3-4H2,1-2H3,(H,18,21,22,24)
InChIKeyZZSWWUZBNBYDBT-UHFFFAOYSA-N
XLogP2.75
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 75467643) is 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nccc(NC(=O)c2cnc3c(cnn3C(C)C3CC3)c2)n1.
What is the InChIKey of 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZZSWWUZBNBYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-10(12-3-4-12)23-16-13(9-20-23)7-14(8-19-16)17(24)22-15-5-6-18-11(2)21-15/h5-10,12H,3-4H2,1-2H3,(H,18,21,22,24).
What are the key properties of 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 75467643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).