2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C92H103F3N26O4 — CID 157158122

About 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157158122) has the molecular formula C92H103F3N26O4 and a molecular weight of 1694.01 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 157158122
• Molecular Formula: C92H103F3N26O4
• Molecular Weight: 1694.01 g/mol
• Exact Mass: 1692.86
• IUPAC Name: 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(CCF)CC5)ccc4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc12.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCCF)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCF)CC5)ccc4n3)cc2c(C)n1
• InChI: InChI=1S/C24H27FN6O.C23H26FN7O.C23H25FN6O.C22H25N7O/c1-16-14-31-22(17(2)26-16)12-21(28-31)20-13-24(32)30-15-19(4-5-23(30)27-20)18-6-10-29(11-7-18)9-3-8-25;1-3-18-21-12-20(27-31(21)14-16(2)25-18)19-13-23(32)30-15-17(4-5-22(30)26-19)29-10-8-28(7-6-24)9-11-29;1-15-13-30-21(16(2)25-15)11-20(27-30)19-12-23(31)29-14-18(3-4-22(29)26-19)17-5-8-28(9-6-17)10-7-24;1-4-17-20-9-19(26-29(20)12-15(3)24-17)18-10-22(30)28-13-16(5-6-21(28)25-18)27-8-7-23-14(2)11-27/h4-5,12-15,18H,3,6-11H2,1-2H3;4-5,12-15H,3,6-11H2,1-2H3;3-4,11-14,17H,5-10H2,1-2H3;5-6,9-10,12-14,23H,4,7-8,11H2,1-3H3/t;;;14-/m...1/s1
• InChIKey: AMAZLUZSSKGVJH-YSXYOLOCSA-N
• XLogP: 11.17
• TPSA: 286.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.01
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 157158122) is 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(CCF)CC5)ccc4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc12.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCCF)CC5)ccc4n3)cc2c(C)n1.Cc1cn2nc(-c3cc(=O)n4cc(C5CCN(CCF)CC5)ccc4n3)cc2c(C)n1.

What is the InChIKey of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is AMAZLUZSSKGVJH-YSXYOLOCSA-N. The full InChI is InChI=1S/C24H27FN6O.C23H26FN7O.C23H25FN6O.C22H25N7O/c1-16-14-31-22(17(2)26-16)12-21(28-31)20-13-24(32)30-15-19(4-5-23(30)27-20)18-6-10-29(11-7-18)9-3-8-25;1-3-18-21-12-20(27-31(21)14-16(2)25-18)19-13-23(32)30-15-17(4-5-22(30)26-19)29-10-8-28(7-6-24)9-11-29;1-15-13-30-21(16(2)25-15)11-20(27-30)19-12-23(31)29-14-18(3-4-22(29)26-19)17-5-8-28(9-6-17)10-7-24;1-4-17-20-9-19(26-29(20)12-15(3)24-17)18-10-22(30)28-13-16(5-6-21(28)25-18)27-8-7-23-14(2)11-27/h4-5,12-15,18H,3,6-11H2,1-2H3;4-5,12-15H,3,6-11H2,1-2H3;3-4,11-14,17H,5-10H2,1-2H3;5-6,9-10,12-14,23H,4,7-8,11H2,1-3H3/t;;;14-/m...1/s1.

What are the key properties of 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?

2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1694.01 g/mol, XLogP of 11.17, 17 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[1-(3-fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[4-(2-fluoroethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157158122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).