4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one

C23H28N4O3 — CID 6623497

IUPAC4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(C)c(CCC(=O)N2CCCC2)c(=O)n2nc(-c3ccccc3OC)cc12
InChIInChI=1S/C23H28N4O3/c1-4-26-16(2)17(11-12-22(28)25-13-7-8-14-25)23(29)27-21(26)15-19(24-27)18-9-5-6-10-20(18)30-3/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3
InChIKeyBAPNCXVBHYYDSW-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.05
Rot. Bonds6

About 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one

4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 6623497) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID6623497
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(C)c(CCC(=O)N2CCCC2)c(=O)n2nc(-c3ccccc3OC)cc12
InChIInChI=1S/C23H28N4O3/c1-4-26-16(2)17(11-12-22(28)25-13-7-8-14-25)23(29)27-21(26)15-19(24-27)18-9-5-6-10-20(18)30-3/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3
InChIKeyBAPNCXVBHYYDSW-UHFFFAOYSA-N
XLogP3.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 6623497) is 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one is CCn1c(C)c(CCC(=O)N2CCCC2)c(=O)n2nc(-c3ccccc3OC)cc12.
What is the InChIKey of 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BAPNCXVBHYYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-26-16(2)17(11-12-22(28)25-13-7-8-14-25)23(29)27-21(26)15-19(24-27)18-9-5-6-10-20(18)30-3/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3.
What are the key properties of 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one?
4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 408.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyphenyl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6623497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).