2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one

C₁₀₈H₁₁₈F₃N₃₃O₅ — CID 160883861

About 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one

2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 160883861) has the molecular formula C₁₀₈H₁₁₈F₃N₃₃O₅ and a molecular weight of 2015.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one
• PubChem CID: 160883861
• Molecular Formula: C₁₀₈H₁₁₈F₃N₃₃O₅
• Molecular Weight: 2015.35 g/mol
• Exact Mass: 2013.99
• IUPAC Name: 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one
• SMILES: CCN1CC=C(c2cn3c(=O)cc(-c4ccc5nc(C)cn5n4)nc3cn2)CC1.CCN1CCN(c2ccc3nc(-c4cc(C)c5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCC(c2ccc3nc(-c4ccc(N(C)C)nc4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(N(C)C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C(F)(F)F)C5)ccc4n3)cc2c(C)n1
• InChI: InChI=1S/C23H26N6O.C22H26N8O.C21H20F3N7O.C21H21N7O.C21H25N5O/c1-4-27-7-9-28(10-8-27)19-5-6-21-25-20(13-22(30)29(21)15-19)17-11-16(2)23-18(12-17)14-24-26(23)3;1-15-13-30-19(22(23-15)26(2)3)11-18(25-30)17-12-21(31)29-14-16(5-6-20(29)24-17)28-9-7-27(4)8-10-28;1-12-9-31-17(13(2)26-12)7-16(28-31)15-8-20(32)30-10-14(3-4-19(30)27-15)29-6-5-25-18(11-29)21(22,23)24;1-3-26-8-6-15(7-9-26)18-13-27-20(11-22-18)24-17(10-21(27)29)16-4-5-19-23-14(2)12-28(19)25-16;1-24(2)19-6-4-16(13-22-19)18-12-21(27)26-14-17(5-7-20(26)23-18)15-8-10-25(3)11-9-15/h5-6,11-15H,4,7-10H2,1-3H3;5-6,11-14H,7-10H2,1-4H3;3-4,7-10,18,25H,5-6,11H2,1-2H3;4-6,10-13H,3,7-9H2,1-2H3;4-7,12-15H,8-11H2,1-3H3
• InChIKey: SNJNHKKDWBHSDG-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 347.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 14
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.35
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one (CID 160883861) is 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one is CCN1CC=C(c2cn3c(=O)cc(-c4ccc5nc(C)cn5n4)nc3cn2)CC1.CCN1CCN(c2ccc3nc(-c4cc(C)c5c(cnn5C)c4)cc(=O)n3c2)CC1.CN1CCC(c2ccc3nc(-c4ccc(N(C)C)nc4)cc(=O)n3c2)CC1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(C)CC5)ccc4n3)cc2c(N(C)C)n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC(C(F)(F)F)C5)ccc4n3)cc2c(C)n1.

What is the InChIKey of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?

The InChIKey is SNJNHKKDWBHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C22H26N8O.C21H20F3N7O.C21H21N7O.C21H25N5O/c1-4-27-7-9-28(10-8-27)19-5-6-21-25-20(13-22(30)29(21)15-19)17-11-16(2)23-18(12-17)14-24-26(23)3;1-15-13-30-19(22(23-15)26(2)3)11-18(25-30)17-12-21(31)29-14-16(5-6-20(29)24-17)28-9-7-27(4)8-10-28;1-12-9-31-17(13(2)26-12)7-16(28-31)15-8-20(32)30-10-14(3-4-19(30)27-15)29-6-5-25-18(11-29)21(22,23)24;1-3-26-8-6-15(7-9-26)18-13-27-20(11-22-18)24-17(10-21(27)29)16-4-5-19-23-14(2)12-28(19)25-16;1-24(2)19-6-4-16(13-22-19)18-12-21(27)26-14-17(5-7-20(26)23-18)15-8-10-25(3)11-9-15/h5-6,11-15H,4,7-10H2,1-3H3;5-6,11-14H,7-10H2,1-4H3;3-4,7-10,18,25H,5-6,11H2,1-2H3;4-6,10-13H,3,7-9H2,1-2H3;4-7,12-15H,8-11H2,1-3H3.

What are the key properties of 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one?

2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 2015.35 g/mol, XLogP of 11.44, 14 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(dimethylamino)-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-[6-(dimethylamino)-3-pyridinyl]-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(1,7-dimethylindazol-5-yl)-7-(4-ethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[3-(trifluoromethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160883861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160883861 — identifiers, structure, computed properties (public domain)

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