2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C62H61F3N18O3 — CID 157075719

About 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 157075719) has the molecular formula C62H61F3N18O3 and a molecular weight of 1163.29 g/mol. Its IUPAC name is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157075719
• Molecular Formula: C62H61F3N18O3
• Molecular Weight: 1163.29 g/mol
• Exact Mass: 1162.51
• IUPAC Name: 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
• SMILES: Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(N5CCNCC5)cc(=O)n4c3)cc(F)c2n1
• InChI: InChI=1S/2C21H21FN6O.C20H19FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26;1-13-9-26(6-5-23-13)16-3-4-19-25-18(8-20(29)28(19)12-16)15-7-17(22)21-24-14(2)10-27(21)11-15;1-13-10-26-11-15(8-16(21)20(26)23-13)14-2-3-17-24-18(9-19(28)27(17)12-14)25-6-4-22-5-7-25/h3-4,9-13H,5-8H2,1-2H3;3-4,7-8,10-13,23H,5-6,9H2,1-2H3;2-3,8-12,22H,4-7H2,1H3/t;13-;/m.1./s1
• InChIKey: ACYKNIVAZKSBRB-KKJSLATMSA-N
• XLogP: 6.33
• TPSA: 192.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1163.29
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 157075719) is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc(F)c2n1.Cc1cn2cc(-c3ccc4nc(N5CCNCC5)cc(=O)n4c3)cc(F)c2n1.

What is the InChIKey of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is ACYKNIVAZKSBRB-KKJSLATMSA-N. The full InChI is InChI=1S/2C21H21FN6O.C20H19FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26;1-13-9-26(6-5-23-13)16-3-4-19-25-18(8-20(29)28(19)12-16)15-7-17(22)21-24-14(2)10-27(21)11-15;1-13-10-26-11-15(8-16(21)20(26)23-13)14-2-3-17-24-18(9-19(28)27(17)12-14)25-6-4-22-5-7-25/h3-4,9-13H,5-8H2,1-2H3;3-4,7-8,10-13,23H,5-6,9H2,1-2H3;2-3,8-12,22H,4-7H2,1H3/t;13-;/m.1./s1.

What are the key properties of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1163.29 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157075719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).