7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C24H27N3O2 — CID 144885326

IUPAC7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2cc(C)c3nc(-c4ccc(OC)c(C)c4)cc(=O)n3c2)CC1
InChIInChI=1S/C24H27N3O2/c1-5-26-10-8-18(9-11-26)20-13-17(3)24-25-21(14-23(28)27(24)15-20)19-6-7-22(29-4)16(2)12-19/h6-8,12-15H,5,9-11H2,1-4H3
InChIKeyXXBLSRJWYNMOTP-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.10
Rot. Bonds4

About 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 144885326) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID144885326
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CC=C(c2cc(C)c3nc(-c4ccc(OC)c(C)c4)cc(=O)n3c2)CC1
InChIInChI=1S/C24H27N3O2/c1-5-26-10-8-18(9-11-26)20-13-17(3)24-25-21(14-23(28)27(24)15-20)19-6-7-22(29-4)16(2)12-19/h6-8,12-15H,5,9-11H2,1-4H3
InChIKeyXXBLSRJWYNMOTP-UHFFFAOYSA-N
XLogP4.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 170019181
2-(3,4-dimethoxyphenyl)-7-[4-(dimethylamino)piperidin-1-yl]-9-ethylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 161498711
2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 123359713
7-(4-aminopiperidin-1-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-aminopyrrolidin-1-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
CID 160531839
7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylisoindol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 165024726
7-(4-aminopiperidin-1-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-(3,4-dimethoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
CID 161015827
3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140473
4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 782013
7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 157492145
5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140472
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741
ethane;7-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 142511229

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 144885326) is 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is CCN1CC=C(c2cc(C)c3nc(-c4ccc(OC)c(C)c4)cc(=O)n3c2)CC1.
What is the InChIKey of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XXBLSRJWYNMOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-26-10-8-18(9-11-26)20-13-17(3)24-25-21(14-23(28)27(24)15-20)19-6-7-22(29-4)16(2)12-19/h6-8,12-15H,5,9-11H2,1-4H3.
What are the key properties of 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 389.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 144885326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).