7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C119H139N31O6 — CID 158480633

About 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158480633) has the molecular formula C119H139N31O6 and a molecular weight of 2099.63 g/mol. Its IUPAC name is 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 158480633
• Molecular Formula: C119H139N31O6
• Molecular Weight: 2099.63 g/mol
• Exact Mass: 2098.15
• IUPAC Name: 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: CCN1CCC(c2cc(C)c3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(C)[C@@H](C)C5)cc(C)c4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(CC)CC5)cc(C)c4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)cc(C)c4n3)cc12.Cc1cc(C2CCN(CCO)CC2)cn2c(=O)cc(-c3ccc4c(cnn4C)c3)nc12
• InChI: InChI=1S/2C24H29N7O.C24H27N5O2.C24H27N5O.C23H27N7O/c1-6-19-22-10-21(27-31(22)12-16(3)25-19)20-11-23(32)30-14-18(9-15(2)24(30)26-20)29-8-7-28(5)17(4)13-29;1-5-19-22-12-21(27-31(22)14-17(4)25-19)20-13-23(32)30-15-18(11-16(3)24(30)26-20)29-9-7-28(6-2)8-10-29;1-16-11-20(17-5-7-28(8-6-17)9-10-30)15-29-23(31)13-21(26-24(16)29)18-3-4-22-19(12-18)14-25-27(22)2;1-4-28-9-7-17(8-10-28)20-11-16(2)24-26-21(13-23(30)29(24)15-20)18-5-6-22-19(12-18)14-25-27(22)3;1-5-18-21-9-20(27-30(21)12-16(4)25-18)19-10-22(31)29-13-17(8-14(2)23(29)26-19)28-7-6-24-15(3)11-28/h9-12,14,17H,6-8,13H2,1-5H3;11-15H,5-10H2,1-4H3;3-4,11-15,17,30H,5-10H2,1-2H3;5-6,11-15,17H,4,7-10H2,1-3H3;8-10,12-13,15,24H,5-7,11H2,1-4H3/t17-;;;;15-/m0...0/s1
• InChIKey: HHMBKKODTNWKLB-DIJPYEJWSA-N
• XLogP: 14.31
• TPSA: 353.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.63
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 158480633) is 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCN1CCC(c2cc(C)c3nc(-c4ccc5c(cnn5C)c4)cc(=O)n3c2)CC1.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(C)[C@@H](C)C5)cc(C)c4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN(CC)CC5)cc(C)c4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)cc(C)c4n3)cc12.Cc1cc(C2CCN(CCO)CC2)cn2c(=O)cc(-c3ccc4c(cnn4C)c3)nc12.

What is the InChIKey of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is HHMBKKODTNWKLB-DIJPYEJWSA-N. The full InChI is InChI=1S/2C24H29N7O.C24H27N5O2.C24H27N5O.C23H27N7O/c1-6-19-22-10-21(27-31(22)12-16(3)25-19)20-11-23(32)30-14-18(9-15(2)24(30)26-20)29-8-7-28(5)17(4)13-29;1-5-19-22-12-21(27-31(22)14-17(4)25-19)20-13-23(32)30-15-18(11-16(3)24(30)26-20)29-9-7-28(6-2)8-10-29;1-16-11-20(17-5-7-28(8-6-17)9-10-30)15-29-23(31)13-21(26-24(16)29)18-3-4-22-19(12-18)14-25-27(22)2;1-4-28-9-7-17(8-10-28)20-11-16(2)24-26-21(13-23(30)29(24)15-20)18-5-6-22-19(12-18)14-25-27(22)3;1-5-18-21-9-20(27-30(21)12-16(4)25-18)19-10-22(31)29-13-17(8-14(2)23(29)26-19)28-7-6-24-15(3)11-28/h9-12,14,17H,6-8,13H2,1-5H3;11-15H,5-10H2,1-4H3;3-4,11-15,17,30H,5-10H2,1-2H3;5-6,11-15,17H,4,7-10H2,1-3H3;8-10,12-13,15,24H,5-7,11H2,1-4H3/t17-;;;;15-/m0...0/s1.

What are the key properties of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?

7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2099.63 g/mol, XLogP of 14.31, 17 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-7-(4-ethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[1-(2-hydroxyethyl)piperidin-4-yl]-9-methyl-2-(1-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158480633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).