7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H27N5O3 — CID 72915433

IUPAC7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2ncc(C(=O)N3CCC4(CCCN(CC5CCC5)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C21H27N5O3/c1-14-10-17-22-11-16(19(28)26(17)23-14)18(27)25-9-7-21(13-25)6-3-8-24(20(21)29)12-15-4-2-5-15/h10-11,15,23H,2-9,12-13H2,1H3
InChIKeyDPXOHTDFFVPQRA-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.59
Rot. Bonds3

About 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72915433) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72915433
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2ncc(C(=O)N3CCC4(CCCN(CC5CCC5)C4=O)C3)c(=O)n2[nH]1
InChIInChI=1S/C21H27N5O3/c1-14-10-17-22-11-16(19(28)26(17)23-14)18(27)25-9-7-21(13-25)6-3-8-24(20(21)29)12-15-4-2-5-15/h10-11,15,23H,2-9,12-13H2,1H3
InChIKeyDPXOHTDFFVPQRA-UHFFFAOYSA-N
XLogP1.59
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one 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 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72915433) is 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc2ncc(C(=O)N3CCC4(CCCN(CC5CCC5)C4=O)C3)c(=O)n2[nH]1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DPXOHTDFFVPQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14-10-17-22-11-16(19(28)26(17)23-14)18(27)25-9-7-21(13-25)6-3-8-24(20(21)29)12-15-4-2-5-15/h10-11,15,23H,2-9,12-13H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 397.48 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72915433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).