2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C119H131N29O5 — CID 157145460

About 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157145460) has the molecular formula C119H131N29O5 and a molecular weight of 2047.55 g/mol. Its IUPAC name is 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157145460
• Molecular Formula: C119H131N29O5
• Molecular Weight: 2047.55 g/mol
• Exact Mass: 2046.09
• IUPAC Name: 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCN1CCC(c2cc(C)c3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CC1.Cc1cc(C2CCN(C3CC3)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(C3CC3)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc(C3CC3)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNCC5)cc(C)c4n3)cc2c(C)n1
• InChI: InChI=1S/C25H28N6O.C25H27N5O.C24H26N6O.C24H27N5O.C21H23N7O/c1-15-10-29(11-16(2)26-15)20-6-7-23-28-22(9-24(32)31(23)14-20)19-8-21(18-4-5-18)25-27-17(3)12-30(25)13-19;1-16-11-19(17-7-9-29(10-8-17)21-4-5-21)15-30-24(31)13-23(26-25(16)30)18-3-6-22-20(12-18)14-28(2)27-22;1-15-11-28(8-7-25-15)19-5-6-22-27-21(10-23(31)30(22)14-19)18-9-20(17-3-4-17)24-26-16(2)12-29(24)13-18;1-4-28-9-7-17(8-10-28)19-11-16(2)24-25-22(13-23(30)29(24)15-19)18-5-6-21-20(12-18)14-27(3)26-21;1-13-8-16(26-6-4-22-5-7-26)12-27-20(29)10-17(24-21(13)27)18-9-19-15(3)23-14(2)11-28(19)25-18/h6-9,12-16,18,26H,4-5,10-11H2,1-3H3;3,6,11-15,17,21H,4-5,7-10H2,1-2H3;5-6,9-10,12-15,17,25H,3-4,7-8,11H2,1-2H3;5-6,11-15,17H,4,7-10H2,1-3H3;8-12,22H,4-7H2,1-3H3/t15-,16+;;15-;;/m..0../s1
• InChIKey: AKQMUBOSXGOYPH-ZFMVKPOBSA-N
• XLogP: 15.77
• TPSA: 324.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.55
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157145460) is 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CCC(c2cc(C)c3nc(-c4ccc5nn(C)cc5c4)cc(=O)n3c2)CC1.Cc1cc(C2CCN(C3CC3)CC2)cn2c(=O)cc(-c3ccc4nn(C)cc4c3)nc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(C3CC3)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5C[C@@H](C)N[C@@H](C)C5)ccc4n3)cc(C3CC3)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNCC5)cc(C)c4n3)cc2c(C)n1.

What is the InChIKey of 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is AKQMUBOSXGOYPH-ZFMVKPOBSA-N. The full InChI is InChI=1S/C25H28N6O.C25H27N5O.C24H26N6O.C24H27N5O.C21H23N7O/c1-15-10-29(11-16(2)26-15)20-6-7-23-28-22(9-24(32)31(23)14-20)19-8-21(18-4-5-18)25-27-17(3)12-30(25)13-19;1-16-11-19(17-7-9-29(10-8-17)21-4-5-21)15-30-24(31)13-23(26-25(16)30)18-3-6-22-20(12-18)14-28(2)27-22;1-15-11-28(8-7-25-15)19-5-6-22-27-21(10-23(31)30(22)14-19)18-9-20(17-3-4-17)24-26-16(2)12-29(24)13-18;1-4-28-9-7-17(8-10-28)19-11-16(2)24-25-22(13-23(30)29(24)15-19)18-5-6-21-20(12-18)14-27(3)26-21;1-13-8-16(26-6-4-22-5-7-26)12-27-20(29)10-17(24-21(13)27)18-9-19-15(3)23-14(2)11-28(19)25-18/h6-9,12-16,18,26H,4-5,10-11H2,1-3H3;3,6,11-15,17,21H,4-5,7-10H2,1-2H3;5-6,9-10,12-15,17,25H,3-4,7-8,11H2,1-2H3;5-6,11-15,17H,4,7-10H2,1-3H3;8-12,22H,4-7H2,1-3H3/t15-,16+;;15-;;/m..0../s1.

What are the key properties of 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2047.55 g/mol, XLogP of 15.77, 14 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157145460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).