2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C20H21N3O — CID 24992135

IUPAC2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2
InChIInChI=1S/C20H21N3O/c1-2-3-6-17-19(15-8-9-16-14(13-15)10-11-21-16)20(24)23-12-5-4-7-18(23)22-17/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3
InChIKeyPBJYXCASMFAEIC-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.67
Rot. Bonds4

About 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one

2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 24992135) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID24992135
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2
InChIInChI=1S/C20H21N3O/c1-2-3-6-17-19(15-8-9-16-14(13-15)10-11-21-16)20(24)23-12-5-4-7-18(23)22-17/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3
InChIKeyPBJYXCASMFAEIC-UHFFFAOYSA-N
XLogP3.67
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 24992135) is 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCCCc1nc2ccccn2c(=O)c1-c1ccc2c(c1)CCN2.
What is the InChIKey of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PBJYXCASMFAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-3-6-17-19(15-8-9-16-14(13-15)10-11-21-16)20(24)23-12-5-4-7-18(23)22-17/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3.
What are the key properties of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24992135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).