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

C114H121N19O11S2 — CID 161015827

About 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

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 (PubChem CID 161015827) has the molecular formula C114H121N19O11S2 and a molecular weight of 1997.48 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161015827
• Molecular Formula: C114H121N19O11S2
• Molecular Weight: 1997.48 g/mol
• Exact Mass: 1995.89
• IUPAC Name: 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
• SMILES: CCCN1CC=C(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C5CCC5)CC4)cc(C)c3n2)cc1OC.COc1ccc(-c2ccc3nc(C4=CCN(C)CC4)cc(=O)n3c2)cc1OC.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCC(N)CC5)ccc4n3)cc2s1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCNCC5)ccc4n3)cc2s1
• InChI: InChI=1S/C26H29N3O3.C25H29N3O3.C22H23N3O3.C21H21N5OS.C20H19N5OS/c1-17-13-20(18-9-11-28(12-10-18)21-5-4-6-21)16-29-25(30)15-22(27-26(17)29)19-7-8-23(31-2)24(14-19)32-3;1-5-10-27-11-8-18(9-12-27)20-13-17(2)25-26-21(15-24(29)28(25)16-20)19-6-7-22(30-3)23(14-19)31-4;1-24-10-8-15(9-11-24)18-13-22(26)25-14-17(5-7-21(25)23-18)16-4-6-19(27-2)20(12-16)28-3;1-13-23-17-4-2-14(10-19(17)28-13)18-11-21(27)26-12-16(3-5-20(26)24-18)25-8-6-15(22)7-9-25;1-12-22-16-3-2-14(10-18(16)27-12)17-11-20(26)25-19(23-17)5-4-15(24-25)13-6-8-21-9-7-13/h7-9,13-16,21H,4-6,10-12H2,1-3H3;6-8,13-16H,5,9-12H2,1-4H3;4-8,12-14H,9-11H2,1-3H3;2-5,10-12,15H,6-9,22H2,1H3;2-5,10-11,13,21H,6-9H2,1H3
• InChIKey: TXSCKWWLXBPCOT-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 316.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.48
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCN1CC=C(c2cc(C)c3nc(-c4ccc(OC)c(OC)c4)cc(=O)n3c2)CC1.COc1ccc(-c2cc(=O)n3cc(C4=CCN(C5CCC5)CC4)cc(C)c3n2)cc1OC.COc1ccc(-c2ccc3nc(C4=CCN(C)CC4)cc(=O)n3c2)cc1OC.Cc1nc2ccc(-c3cc(=O)n4cc(N5CCC(N)CC5)ccc4n3)cc2s1.Cc1nc2ccc(-c3cc(=O)n4nc(C5CCNCC5)ccc4n3)cc2s1.

What is the InChIKey of 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?

The InChIKey is TXSCKWWLXBPCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3.C25H29N3O3.C22H23N3O3.C21H21N5OS.C20H19N5OS/c1-17-13-20(18-9-11-28(12-10-18)21-5-4-6-21)16-29-25(30)15-22(27-26(17)29)19-7-8-23(31-2)24(14-19)32-3;1-5-10-27-11-8-18(9-12-27)20-13-17(2)25-26-21(15-24(29)28(25)16-20)19-6-7-22(30-3)23(14-19)31-4;1-24-10-8-15(9-11-24)18-13-22(26)25-14-17(5-7-21(25)23-18)16-4-6-19(27-2)20(12-16)28-3;1-13-23-17-4-2-14(10-19(17)28-13)18-11-21(27)26-12-16(3-5-20(26)24-18)25-8-6-15(22)7-9-25;1-12-22-16-3-2-14(10-18(16)27-12)17-11-20(26)25-19(23-17)5-4-15(24-25)13-6-8-21-9-7-13/h7-9,13-16,21H,4-6,10-12H2,1-3H3;6-8,13-16H,5,9-12H2,1-4H3;4-8,12-14H,9-11H2,1-3H3;2-5,10-12,15H,6-9,22H2,1H3;2-5,10-11,13,21H,6-9H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 1997.48 g/mol, XLogP of 17.96, 19 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161015827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).