2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C91H103ClF2N18O8 — CID 162205983

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 162205983) has the molecular formula C91H103ClF2N18O8 and a molecular weight of 1650.39 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 162205983
• Molecular Formula: C91H103ClF2N18O8
• Molecular Weight: 1650.39 g/mol
• Exact Mass: 1648.79
• IUPAC Name: 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1ccc(-c2cc(=O)n3cc(N4CCC(N(C)C)CC4)cc(C)c3n2)cc1F.COc1ccc(-c2cc(=O)n3cc(N4CCC(NC5CC5)CC4)cc(C)c3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN(C)CC4)cc(C)c3n2)cc1F.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)[C@@H](C)C5)ccc4n3)cc(Cl)c2n1
• InChI: InChI=1S/C25H30N4O3.C23H27FN4O2.C22H23ClN6O.C21H23FN4O2/c1-16-12-20(28-10-8-19(9-11-28)26-18-5-6-18)15-29-24(30)14-21(27-25(16)29)17-4-7-22(31-2)23(13-17)32-3;1-15-11-18(27-9-7-17(8-10-27)26(2)3)14-28-22(29)13-20(25-23(15)28)16-5-6-21(30-4)19(24)12-16;1-14-10-28-12-16(8-18(23)22(28)24-14)19-9-21(30)29-13-17(4-5-20(29)25-19)27-7-6-26(3)15(2)11-27;1-14-10-16(25-8-6-24(2)7-9-25)13-26-20(27)12-18(23-21(14)26)15-4-5-19(28-3)17(22)11-15/h4,7,12-15,18-19,26H,5-6,8-11H2,1-3H3;5-6,11-14,17H,7-10H2,1-4H3;4-5,8-10,12-13,15H,6-7,11H2,1-3H3;4-5,10-13H,6-9H2,1-3H3/t;;15-;/m..0./s1
• InChIKey: ZSEREFJYVWULOV-SIEXAZRVSA-N
• XLogP: 12.44
• TPSA: 226.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1650.39
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 162205983) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CCC(N(C)C)CC4)cc(C)c3n2)cc1F.COc1ccc(-c2cc(=O)n3cc(N4CCC(NC5CC5)CC4)cc(C)c3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4CCN(C)CC4)cc(C)c3n2)cc1F.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.

What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is ZSEREFJYVWULOV-SIEXAZRVSA-N. The full InChI is InChI=1S/C25H30N4O3.C23H27FN4O2.C22H23ClN6O.C21H23FN4O2/c1-16-12-20(28-10-8-19(9-11-28)26-18-5-6-18)15-29-24(30)14-21(27-25(16)29)17-4-7-22(31-2)23(13-17)32-3;1-15-11-18(27-9-7-17(8-10-27)26(2)3)14-28-22(29)13-20(25-23(15)28)16-5-6-21(30-4)19(24)12-16;1-14-10-28-12-16(8-18(23)22(28)24-14)19-9-21(30)29-13-17(4-5-20(29)25-19)27-7-6-26(3)15(2)11-27;1-14-10-16(25-8-6-24(2)7-9-25)13-26-20(27)12-18(23-21(14)26)15-4-5-19(28-3)17(22)11-15/h4,7,12-15,18-19,26H,5-6,8-11H2,1-3H3;5-6,11-14,17H,7-10H2,1-4H3;4-5,8-10,12-13,15H,6-7,11H2,1-3H3;4-5,10-13H,6-9H2,1-3H3/t;;15-;/m..0./s1.

What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1650.39 g/mol, XLogP of 12.44, 15 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3,4-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-[4-(cyclopropylamino)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 162205983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).