7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C117H120N28O8 — CID 157112944

About 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157112944) has the molecular formula C117H120N28O8 and a molecular weight of 2046.43 g/mol. Its IUPAC name is 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157112944
• Molecular Formula: C117H120N28O8
• Molecular Weight: 2046.43 g/mol
• Exact Mass: 2044.98
• IUPAC Name: 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: COc1ccc(-c2cc(=O)n3cc(C4=CCNCC4)cnc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C(C)C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6COC6)CC5)ccc4n3)cc2c(C)n1
• InChI: InChI=1S/C25H26N6O.C24H24N6O2.C24H24N6O.C24H26N6O.C20H20N4O3/c1-16-14-31-23(17(2)26-16)12-22(28-31)21-13-25(32)30-15-19(6-7-24(30)27-21)18-8-10-29(11-9-18)20-4-3-5-20;1-15-11-30-22(16(2)25-15)9-21(27-30)20-10-24(31)29-12-18(3-4-23(29)26-20)17-5-7-28(8-6-17)19-13-32-14-19;1-15-13-30-22(16(2)25-15)11-21(27-30)20-12-24(31)29-14-18(3-6-23(29)26-20)17-7-9-28(10-8-17)19-4-5-19;1-15(2)28-9-7-18(8-10-28)19-5-6-23-26-20(12-24(31)29(23)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21;1-26-17-4-3-14(9-18(17)27-2)16-10-19(25)24-12-15(11-22-20(24)23-16)13-5-7-21-8-6-13/h6-8,12-15,20H,3-5,9-11H2,1-2H3;3-5,9-12,19H,6-8,13-14H2,1-2H3;3,6-7,11-14,19H,4-5,8-10H2,1-2H3;5-7,11-15H,8-10H2,1-4H3;3-5,9-12,21H,6-8H2,1-2H3
• InChIKey: AHBGDDJXYLBOTO-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 358.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2046.43
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157112944) is 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(C4=CCNCC4)cnc3n2)cc1OC.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C(C)C)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6CCC6)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5=CCN(C6COC6)CC5)ccc4n3)cc2c(C)n1.

What is the InChIKey of 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is AHBGDDJXYLBOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O.C24H24N6O2.C24H24N6O.C24H26N6O.C20H20N4O3/c1-16-14-31-23(17(2)26-16)12-22(28-31)21-13-25(32)30-15-19(6-7-24(30)27-21)18-8-10-29(11-9-18)20-4-3-5-20;1-15-11-30-22(16(2)25-15)9-21(27-30)20-10-24(31)29-12-18(3-4-23(29)26-20)17-5-7-28(8-6-17)19-13-32-14-19;1-15-13-30-22(16(2)25-15)11-21(27-30)20-12-24(31)29-14-18(3-6-23(29)26-20)17-7-9-28(10-8-17)19-4-5-19;1-15(2)28-9-7-18(8-10-28)19-5-6-23-26-20(12-24(31)29(23)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21;1-26-17-4-3-14(9-18(17)27-2)16-10-19(25)24-12-15(11-22-20(24)23-16)13-5-7-21-8-6-13/h6-8,12-15,20H,3-5,9-11H2,1-2H3;3-5,9-12,19H,6-8,13-14H2,1-2H3;3,6-7,11-14,19H,4-5,8-10H2,1-2H3;5-7,11-15H,8-10H2,1-4H3;3-5,9-12,21H,6-8H2,1-2H3.

What are the key properties of 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2046.43 g/mol, XLogP of 15.11, 16 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-cyclobutyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrimido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157112944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).