7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

C108H115F4N17O11 — CID 157492145

About 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 157492145) has the molecular formula C108H115F4N17O11 and a molecular weight of 1903.21 g/mol. Its IUPAC name is 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157492145
• Molecular Formula: C108H115F4N17O11
• Molecular Weight: 1903.21 g/mol
• Exact Mass: 1901.89
• IUPAC Name: 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1ccc(-c2cc(=O)n3cc(C4=CCN(C)CC4)cc(C)c3n2)cc1F.COc1ccc(-c2cc(=O)n3cc(N4CCN[C@H](C)C4)cc(C)c3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4C[C@H]5CCCN(C)[C@H]5C4)ccc3n2)cc1F.COc1ccc(-c2ccc3nc(C4CCN(C)CC4)cc(=O)n3c2)cc1F.COc1ccc(-c2ccc3nc(C4CCNCC4)cc(=O)n3c2)cc1F
• InChI: InChI=1S/C23H25FN4O2.C22H22FN3O2.C22H26N4O3.C21H22FN3O2.C20H20FN3O2/c1-26-9-3-4-16-12-27(14-20(16)26)17-6-8-22-25-19(11-23(29)28(22)13-17)15-5-7-21(30-2)18(24)10-15;1-14-10-17(15-6-8-25(2)9-7-15)13-26-21(27)12-19(24-22(14)26)16-4-5-20(28-3)18(23)11-16;1-14-9-17(25-8-7-23-15(2)12-25)13-26-21(27)11-18(24-22(14)26)16-5-6-19(28-3)20(10-16)29-4;1-24-9-7-14(8-10-24)18-12-21(26)25-13-16(4-6-20(25)23-18)15-3-5-19(27-2)17(22)11-15;1-26-18-4-2-14(10-16(18)21)15-3-5-19-23-17(11-20(25)24(19)12-15)13-6-8-22-9-7-13/h5-8,10-11,13,16,20H,3-4,9,12,14H2,1-2H3;4-6,10-13H,7-9H2,1-3H3;5-6,9-11,13,15,23H,7-8,12H2,1-4H3;3-6,11-14H,7-10H2,1-2H3;2-5,10-13,22H,6-9H2,1H3/t16-,20+;;15-;;/m1.1../s1
• InChIKey: BXKDSLUYDPAPAK-QGHQSOLDSA-N
• XLogP: 15.36
• TPSA: 267.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.21
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 157492145) is 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(C4=CCN(C)CC4)cc(C)c3n2)cc1F.COc1ccc(-c2cc(=O)n3cc(N4CCN[C@H](C)C4)cc(C)c3n2)cc1OC.COc1ccc(-c2cc(=O)n3cc(N4C[C@H]5CCCN(C)[C@H]5C4)ccc3n2)cc1F.COc1ccc(-c2ccc3nc(C4CCN(C)CC4)cc(=O)n3c2)cc1F.COc1ccc(-c2ccc3nc(C4CCNCC4)cc(=O)n3c2)cc1F.

What is the InChIKey of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is BXKDSLUYDPAPAK-QGHQSOLDSA-N. The full InChI is InChI=1S/C23H25FN4O2.C22H22FN3O2.C22H26N4O3.C21H22FN3O2.C20H20FN3O2/c1-26-9-3-4-16-12-27(14-20(16)26)17-6-8-22-25-19(11-23(29)28(22)13-17)15-5-7-21(30-2)18(24)10-15;1-14-10-17(15-6-8-25(2)9-7-15)13-26-21(27)12-19(24-22(14)26)16-4-5-20(28-3)18(23)11-16;1-14-9-17(25-8-7-23-15(2)12-25)13-26-21(27)11-18(24-22(14)26)16-5-6-19(28-3)20(10-16)29-4;1-24-9-7-14(8-10-24)18-12-21(26)25-13-16(4-6-20(25)23-18)15-3-5-19(27-2)17(22)11-15;1-26-18-4-2-14(10-16(18)21)15-3-5-19-23-17(11-20(25)24(19)12-15)13-6-8-22-9-7-13/h5-8,10-11,13,16,20H,3-4,9,12,14H2,1-2H3;4-6,10-13H,7-9H2,1-3H3;5-6,9-11,13,15,23H,7-8,12H2,1-4H3;3-6,11-14H,7-10H2,1-2H3;2-5,10-13,22H,6-9H2,1H3/t16-,20+;;15-;;/m1.1../s1.

What are the key properties of 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?

7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1903.21 g/mol, XLogP of 15.36, 16 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-9-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157492145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).