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

C94H110N16O11S — CID 161498711

About 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

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 (PubChem CID 161498711) has the molecular formula C94H110N16O11S and a molecular weight of 1672.08 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161498711
• Molecular Formula: C94H110N16O11S
• Molecular Weight: 1672.08 g/mol
• Exact Mass: 1670.83
• IUPAC Name: 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
• SMILES: CCc1cc(N2CCC(N(C)C)CC2)cn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc12.COc1ccc(-c2cc(=O)n3cc(C4=CCN(CCO)CC4)cc(C)c3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN(C)CC4)cc(C)c3n2)cc1OC.Cc1nc2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)ccc2s1
• InChI: InChI=1S/C25H32N4O3.C24H27N3O4.C23H25N5OS.C22H26N4O3/c1-6-17-13-20(28-11-9-19(10-12-28)27(2)3)16-29-24(30)15-21(26-25(17)29)18-7-8-22(31-4)23(14-18)32-5;1-16-12-19(17-6-8-26(9-7-17)10-11-28)15-27-23(29)14-20(25-24(16)27)18-4-5-21(30-2)22(13-18)31-3;1-15-24-20-12-16(4-6-21(20)30-15)19-13-23(29)28-14-18(5-7-22(28)25-19)27-10-8-17(9-11-27)26(2)3;1-15-11-17(25-9-7-24(2)8-10-25)14-26-21(27)13-18(23-22(15)26)16-5-6-19(28-3)20(12-16)29-4/h7-8,13-16,19H,6,9-12H2,1-5H3;4-6,12-15,28H,7-11H2,1-3H3;4-7,12-14,17H,8-11H2,1-3H3;5-6,11-14H,7-10H2,1-4H3
• InChIKey: WGOCTKLMISNIGY-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 248.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1672.08
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCc1cc(N2CCC(N(C)C)CC2)cn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc12.COc1ccc(-c2cc(=O)n3cc(C4=CCN(CCO)CC4)cc(C)c3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN(C)CC4)cc(C)c3n2)cc1OC.Cc1nc2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)ccc2s1.

What is the InChIKey of 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?

The InChIKey is WGOCTKLMISNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3.C24H27N3O4.C23H25N5OS.C22H26N4O3/c1-6-17-13-20(28-11-9-19(10-12-28)27(2)3)16-29-24(30)15-21(26-25(17)29)18-7-8-22(31-4)23(14-18)32-5;1-16-12-19(17-6-8-26(9-7-17)10-11-28)15-27-23(29)14-20(25-24(16)27)18-4-5-21(30-2)22(13-18)31-3;1-15-24-20-12-16(4-6-21(20)30-15)19-13-23(29)28-14-18(5-7-22(28)25-19)27-10-8-17(9-11-27)26(2)3;1-15-11-17(25-9-7-24(2)8-10-25)14-26-21(27)13-18(23-22(15)26)16-5-6-19(28-3)20(12-16)29-4/h7-8,13-16,19H,6,9-12H2,1-5H3;4-6,12-15,28H,7-11H2,1-3H3;4-7,12-14,17H,8-11H2,1-3H3;5-6,11-14H,7-10H2,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 1672.08 g/mol, XLogP of 12.49, 19 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161498711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).