1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one

C24H35N5O2 — CID 110087968

IUPAC1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1
InChIInChI=1S/C24H35N5O2/c1-5-16(2)24(31)28-14-8-9-21(28)20-15-22-25-17(3)19(18(4)29(22)26-20)10-11-23(30)27-12-6-7-13-27/h15-16,21H,5-14H2,1-4H3
InChIKeyKRJZIZXNVPLOAK-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.61
Rot. Bonds6

About 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one

1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one (PubChem CID 110087968) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
PubChem CID110087968
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCCC1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1
InChIInChI=1S/C24H35N5O2/c1-5-16(2)24(31)28-14-8-9-21(28)20-15-22-25-17(3)19(18(4)29(22)26-20)10-11-23(30)27-12-6-7-13-27/h15-16,21H,5-14H2,1-4H3
InChIKeyKRJZIZXNVPLOAK-UHFFFAOYSA-N
XLogP3.61
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-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 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one (CID 110087968) is 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCCC1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1.
What is the InChIKey of 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
The InChIKey is KRJZIZXNVPLOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-5-16(2)24(31)28-14-8-9-21(28)20-15-22-25-17(3)19(18(4)29(22)26-20)10-11-23(30)27-12-6-7-13-27/h15-16,21H,5-14H2,1-4H3.
What are the key properties of 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one has a molecular weight of 425.58 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 110087968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).