7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C110H109F5N22O9 — CID 157263642

About 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157263642) has the molecular formula C110H109F5N22O9 and a molecular weight of 1978.22 g/mol. Its IUPAC name is 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157263642
• Molecular Formula: C110H109F5N22O9
• Molecular Weight: 1978.22 g/mol
• Exact Mass: 1976.87
• IUPAC Name: 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1ccc(-c2cc(=O)n3cc(N4C[C@H]5CCCN[C@H]5C4)ccc3n2)cc1F.COc1ccc(-c2ccc3nc(N4CCC(N(C)C)CC4)cc(=O)n3c2)cc1F.Cc1cn2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)cc(F)c2n1.Cc1nc2c(F)cc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)cc2o1.Cc1nc2c(F)cc(-c3cc(=O)n4cc(C5=CCNCC5)ccc4n3)cc2o1
• InChI: InChI=1S/C23H25FN6O.C22H19FN4O2.C22H23FN4O2.C22H25FN4O2.C21H17FN4O2/c1-15-12-29-13-16(10-19(24)23(29)25-15)20-11-22(31)30-14-18(4-5-21(30)26-20)28-8-6-17(7-9-28)27(2)3;1-13-24-22-17(23)9-16(10-19(22)29-13)18-11-21(28)27-12-15(3-4-20(27)25-18)14-5-7-26(2)8-6-14;1-29-20-6-4-14(9-17(20)23)18-10-22(28)27-12-16(5-7-21(27)25-18)26-11-15-3-2-8-24-19(15)13-26;1-25(2)17-8-10-26(11-9-17)21-13-22(28)27-14-16(5-7-20(27)24-21)15-4-6-19(29-3)18(23)12-15;1-12-24-21-16(22)8-15(9-18(21)28-12)17-10-20(27)26-11-14(2-3-19(26)25-17)13-4-6-23-7-5-13/h4-5,10-14,17H,6-9H2,1-3H3;3-5,9-12H,6-8H2,1-2H3;4-7,9-10,12,15,19,24H,2-3,8,11,13H2,1H3;4-7,12-14,17H,8-11H2,1-3H3;2-4,8-11,23H,5-7H2,1H3/t;;15-,19+;;/m..1../s1
• InChIKey: AXTCAONHBSIIPK-CFHIUXGBSA-N
• XLogP: 15.72
• TPSA: 303.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 14
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1978.22
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157263642) is 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(N4C[C@H]5CCCN[C@H]5C4)ccc3n2)cc1F.COc1ccc(-c2ccc3nc(N4CCC(N(C)C)CC4)cc(=O)n3c2)cc1F.Cc1cn2cc(-c3cc(=O)n4cc(N5CCC(N(C)C)CC5)ccc4n3)cc(F)c2n1.Cc1nc2c(F)cc(-c3cc(=O)n4cc(C5=CCN(C)CC5)ccc4n3)cc2o1.Cc1nc2c(F)cc(-c3cc(=O)n4cc(C5=CCNCC5)ccc4n3)cc2o1.

What is the InChIKey of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is AXTCAONHBSIIPK-CFHIUXGBSA-N. The full InChI is InChI=1S/C23H25FN6O.C22H19FN4O2.C22H23FN4O2.C22H25FN4O2.C21H17FN4O2/c1-15-12-29-13-16(10-19(24)23(29)25-15)20-11-22(31)30-14-18(4-5-21(30)26-20)28-8-6-17(7-9-28)27(2)3;1-13-24-22-17(23)9-16(10-19(22)29-13)18-11-21(28)27-12-15(3-4-20(27)25-18)14-5-7-26(2)8-6-14;1-29-20-6-4-14(9-17(20)23)18-10-22(28)27-12-16(5-7-21(27)25-18)26-11-15-3-2-8-24-19(15)13-26;1-25(2)17-8-10-26(11-9-17)21-13-22(28)27-14-16(5-7-20(27)24-21)15-4-6-19(29-3)18(23)12-15;1-12-24-21-16(22)8-15(9-18(21)28-12)17-10-20(27)26-11-14(2-3-19(26)25-17)13-4-6-23-7-5-13/h4-5,10-14,17H,6-9H2,1-3H3;3-5,9-12H,6-8H2,1-2H3;4-7,9-10,12,15,19,24H,2-3,8,11,13H2,1H3;4-7,12-14,17H,8-11H2,1-3H3;2-4,8-11,23H,5-7H2,1H3/t;;15-,19+;;/m..1../s1.

What are the key properties of 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1978.22 g/mol, XLogP of 15.72, 14 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-[4-(dimethylamino)piperidin-1-yl]-7-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157263642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).