2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H26N6O4 — CID 169415943

IUPAC2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC3CCC(C(=O)N4CCNC(=O)CC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C20H26N6O4/c1-12-10-16-22-11-15(20(30)26(16)24-12)18(28)23-14-4-2-13(3-5-14)19(29)25-8-6-17(27)21-7-9-25/h10-11,13-14,24H,2-9H2,1H3,(H,21,27)(H,23,28)
InChIKeyFVFRUOZXJBWWQN-UHFFFAOYSA-N
MW414.47 g/mol
LogP-0.03
Rot. Bonds3

About 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 169415943) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID169415943
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC Name2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC3CCC(C(=O)N4CCNC(=O)CC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C20H26N6O4/c1-12-10-16-22-11-15(20(30)26(16)24-12)18(28)23-14-4-2-13(3-5-14)19(29)25-8-6-17(27)21-7-9-25/h10-11,13-14,24H,2-9H2,1H3,(H,21,27)(H,23,28)
InChIKeyFVFRUOZXJBWWQN-UHFFFAOYSA-N
XLogP-0.03
TPSA128.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-{[(1S*,5R*)-6-(cyclopropylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70764888
6-{[(1S*,5R*)-6-(cyclobutylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 72928527
2-methyl-N-{1-[(methylamino)carbonyl]cyclohexyl}-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91830413
6-[(1R,5S)-6-(cyclopropylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133117171
6-[(1R,5S)-6-(cyclobutylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133128753
formic acid;2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 171339253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 169415943) is 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NC3CCC(C(=O)N4CCNC(=O)CC4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FVFRUOZXJBWWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-12-10-16-22-11-15(20(30)26(16)24-12)18(28)23-14-4-2-13(3-5-14)19(29)25-8-6-17(27)21-7-9-25/h10-11,13-14,24H,2-9H2,1H3,(H,21,27)(H,23,28).
What are the key properties of 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 414.47 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-N-[4-(5-oxo-1,4-diazepane-1-carbonyl)cyclohexyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 169415943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).