2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C24H27N3O2 — CID 170019181

IUPAC2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CC=C(c2ccc3nc(-c4ccc(C)c(OC)c4)cc(=O)n3c2)CC1
InChIInChI=1S/C24H27N3O2/c1-4-11-26-12-9-18(10-13-26)20-7-8-23-25-21(15-24(28)27(23)16-20)19-6-5-17(2)22(14-19)29-3/h5-9,14-16H,4,10-13H2,1-3H3
InChIKeyCJYNJQOHOCQTAH-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.18
Rot. Bonds5

About 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170019181) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170019181
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CC=C(c2ccc3nc(-c4ccc(C)c(OC)c4)cc(=O)n3c2)CC1
InChIInChI=1S/C24H27N3O2/c1-4-11-26-12-9-18(10-13-26)20-7-8-23-25-21(15-24(28)27(23)16-20)19-6-5-17(2)22(14-19)29-3/h5-9,14-16H,4,10-13H2,1-3H3
InChIKeyCJYNJQOHOCQTAH-UHFFFAOYSA-N
XLogP4.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-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 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 170019181) is 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCCN1CC=C(c2ccc3nc(-c4ccc(C)c(OC)c4)cc(=O)n3c2)CC1.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CJYNJQOHOCQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-11-26-12-9-18(10-13-26)20-7-8-23-25-21(15-24(28)27(23)16-20)19-6-5-17(2)22(14-19)29-3/h5-9,14-16H,4,10-13H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 389.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170019181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).