2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C24H28N4O — CID 24992455

IUPAC2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2C1CCNC1
InChIInChI=1S/C24H28N4O/c1-2-3-6-20-23(24(29)28-13-5-4-7-22(28)26-20)18-8-9-21-17(15-18)11-14-27(21)19-10-12-25-16-19/h4-5,7-9,13,15,19,25H,2-3,6,10-12,14,16H2,1H3
InChIKeyWILSLAKCHWCKBA-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.43
Rot. Bonds5

About 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one

2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24992455) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID24992455
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2C1CCNC1
InChIInChI=1S/C24H28N4O/c1-2-3-6-20-23(24(29)28-13-5-4-7-22(28)26-20)18-8-9-21-17(15-18)11-14-27(21)19-10-12-25-16-19/h4-5,7-9,13,15,19,25H,2-3,6,10-12,14,16H2,1H3
InChIKeyWILSLAKCHWCKBA-UHFFFAOYSA-N
XLogP3.43
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 24992455) is 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2C1CCNC1.
What is the InChIKey of 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WILSLAKCHWCKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-3-6-20-23(24(29)28-13-5-4-7-22(28)26-20)18-8-9-21-17(15-18)11-14-27(21)19-10-12-25-16-19/h4-5,7-9,13,15,19,25H,2-3,6,10-12,14,16H2,1H3.
What are the key properties of 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 388.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(1-pyrrolidin-3-yl-2,3-dihydroindol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24992455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).