7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C114H130N24O10 — CID 157436898

About 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157436898) has the molecular formula C114H130N24O10 and a molecular weight of 1996.45 g/mol. Its IUPAC name is 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157436898
• Molecular Formula: C114H130N24O10
• Molecular Weight: 1996.45 g/mol
• Exact Mass: 1995.04
• IUPAC Name: 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCN(CC)C1CCN(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.CCc1cc(N2CCN[C@H](C)C2)cn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc12.CN(C)c1ccc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)cn1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N(C)CCO)CC4)cc(C)c3n2)cc1OC.Cn1ncc2cc(-c3cc(=O)n4cc(C5=CCNCC5)ccc4n3)ccc21
• InChI: InChI=1S/C25H30N6O.C25H32N4O4.C23H28N4O3.C21H19N5O.C20H21N5O/c1-4-28(5-2)20-10-12-29(13-11-20)21-7-9-24-27-22(14-25(32)31(24)17-21)19-6-8-23-26-18(3)15-30(23)16-19;1-17-13-20(28-9-7-19(8-10-28)27(2)11-12-30)16-29-24(31)15-21(26-25(17)29)18-5-6-22(32-3)23(14-18)33-4;1-5-16-10-18(26-9-8-24-15(2)13-26)14-27-22(28)12-19(25-23(16)27)17-6-7-20(29-3)21(11-17)30-4;1-25-19-4-2-15(10-17(19)12-23-25)18-11-21(27)26-13-16(3-5-20(26)24-18)14-6-8-22-9-7-14;1-24(2)18-5-3-15(12-22-18)17-11-20(26)25-13-16(4-6-19(25)23-17)14-7-9-21-10-8-14/h6-9,14-17,20H,4-5,10-13H2,1-3H3;5-6,13-16,19,30H,7-12H2,1-4H3;6-7,10-12,14-15,24H,5,8-9,13H2,1-4H3;2-6,10-13,22H,7-9H2,1H3;3-7,11-13,21H,8-10H2,1-2H3/t;;15-;;/m..1../s1
• InChIKey: BRFFAWBQYRZIAG-DZXWOVLVSA-N
• XLogP: 13.77
• TPSA: 332.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1996.45
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157436898) is 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCN(CC)C1CCN(c2ccc3nc(-c4ccc5nc(C)cn5c4)cc(=O)n3c2)CC1.CCc1cc(N2CCN[C@H](C)C2)cn2c(=O)cc(-c3ccc(OC)c(OC)c3)nc12.CN(C)c1ccc(-c2cc(=O)n3cc(C4=CCNCC4)ccc3n2)cn1.COc1ccc(-c2cc(=O)n3cc(N4CCC(N(C)CCO)CC4)cc(C)c3n2)cc1OC.Cn1ncc2cc(-c3cc(=O)n4cc(C5=CCNCC5)ccc4n3)ccc21.

What is the InChIKey of 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BRFFAWBQYRZIAG-DZXWOVLVSA-N. The full InChI is InChI=1S/C25H30N6O.C25H32N4O4.C23H28N4O3.C21H19N5O.C20H21N5O/c1-4-28(5-2)20-10-12-29(13-11-20)21-7-9-24-27-22(14-25(32)31(24)17-21)19-6-8-23-26-18(3)15-30(23)16-19;1-17-13-20(28-9-7-19(8-10-28)27(2)11-12-30)16-29-24(31)15-21(26-25(17)29)18-5-6-22(32-3)23(14-18)33-4;1-5-16-10-18(26-9-8-24-15(2)13-26)14-27-22(28)12-19(25-23(16)27)17-6-7-20(29-3)21(11-17)30-4;1-25-19-4-2-15(10-17(19)12-23-25)18-11-21(27)26-13-16(3-5-20(26)24-18)14-6-8-22-9-7-14;1-24(2)18-5-3-15(12-22-18)17-11-20(26)25-13-16(4-6-19(25)23-17)14-7-9-21-10-8-14/h6-9,14-17,20H,4-5,10-13H2,1-3H3;5-6,13-16,19,30H,7-12H2,1-4H3;6-7,10-12,14-15,24H,5,8-9,13H2,1-4H3;2-6,10-13,22H,7-9H2,1H3;3-7,11-13,21H,8-10H2,1-2H3/t;;15-;;/m..1../s1.

What are the key properties of 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1996.45 g/mol, XLogP of 13.77, 22 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(diethylamino)piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-ethyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1-methylindazol-5-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157436898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).