2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H25N5O2 — CID 137018759

IUPAC2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NCC(C)C
InChIInChI=1S/C17H25N5O2/c1-10(2)9-19-17(24)15-11(3)21-22-13(8-14(23)20-16(15)22)12-4-6-18-7-5-12/h8,10,12,18H,4-7,9H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyHLBKQAMGXHBBIZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.18
Rot. Bonds4

About 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018759) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018759
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NCC(C)C
InChIInChI=1S/C17H25N5O2/c1-10(2)9-19-17(24)15-11(3)21-22-13(8-14(23)20-16(15)22)12-4-6-18-7-5-12/h8,10,12,18H,4-7,9H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyHLBKQAMGXHBBIZ-UHFFFAOYSA-N
XLogP1.18
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-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 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018759) is 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HLBKQAMGXHBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(2)9-19-17(24)15-11(3)21-22-13(8-14(23)20-16(15)22)12-4-6-18-7-5-12/h8,10,12,18H,4-7,9H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).