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

C17H25N5O2 — CID 137018748

IUPACN-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NC(C)(C)C
InChIInChI=1S/C17H25N5O2/c1-10-14(16(24)20-17(2,3)4)15-19-13(23)9-12(22(15)21-10)11-5-7-18-8-6-11/h9,11,18H,5-8H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyKLCXXMUMQALLCG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.33
Rot. Bonds2

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

N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018748) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018748
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NC(C)(C)C
InChIInChI=1S/C17H25N5O2/c1-10-14(16(24)20-17(2,3)4)15-19-13(23)9-12(22(15)21-10)11-5-7-18-8-6-11/h9,11,18H,5-8H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyKLCXXMUMQALLCG-UHFFFAOYSA-N
XLogP1.33
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-methyl-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 N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018748) is N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KLCXXMUMQALLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-14(16(24)20-17(2,3)4)15-19-13(23)9-12(22(15)21-10)11-5-7-18-8-6-11/h9,11,18H,5-8H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-tert-butyl-2-methyl-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 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).