7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C139H160N42O6 — CID 157444935

IUPAC7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(-c2cc(=O)n3cc(C4CCN(C)CC4)ccc3n2)nn2cc(C)nc12.CN(c1ccc(-c2ccc(-c3cnn(CCN)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(CCN)C6(CC6)C5)ccc4n3)cc(C)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)cc(C)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1
InChIInChI=1S/C25H35N7O.C24H28N8O.C23H25N7O.C23H26N6O.2C22H23N7O/c1-24(2)13-19(14-25(3,4)30-24)31(5)23-9-8-21(28-29-23)20-7-6-17(12-22(20)33)18-15-27-32(16-18)11-10-26;1-16-11-20(28-32-13-17(2)26-23(16)32)19-12-22(33)31-14-18(3-4-21(31)27-19)29-9-10-30(8-7-25)24(15-29)5-6-24;1-15-10-20(26-30-12-16(2)24-23(15)30)19-11-22(31)29-14-18(5-6-21(29)25-19)28-9-8-27-7-3-4-17(27)13-28;1-4-16-11-20(26-29-13-15(2)24-23(16)29)19-12-22(30)28-14-18(5-6-21(28)25-19)17-7-9-27(3)10-8-17;1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22;1-15-12-29-21(23-15)7-5-18(25-29)19-11-22(30)28-14-17(4-6-20(28)24-19)27-10-9-26-8-2-3-16(26)13-27/h6-9,12,15-16,19,30,33H,10-11,13-14,26H2,1-5H3;3-4,11-14H,5-10,15,25H2,1-2H3;5-6,10-12,14,17H,3-4,7-9,13H2,1-2H3;5-6,11-14,17H,4,7-10H2,1-3H3;3-4,9-12,23H,5-8,13H2,1-2H3;4-7,11-12,14,16H,2-3,8-10,13H2,1H3/t;;17-;;;16-/m..0..0/s1
InChIKeyBSCNDMNLZGQWOX-DOZZEERBSA-N
MW2515.10 g/mol
LogP14.40
Rot. Bonds19

About 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 157444935) has the molecular formula C139H160N42O6 and a molecular weight of 2515.10 g/mol. Its IUPAC name is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID157444935
Molecular FormulaC139H160N42O6
Molecular Weight2515.10 g/mol
Exact Mass2513.35
IUPAC Name7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(-c2cc(=O)n3cc(C4CCN(C)CC4)ccc3n2)nn2cc(C)nc12.CN(c1ccc(-c2ccc(-c3cnn(CCN)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(CCN)C6(CC6)C5)ccc4n3)cc(C)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)cc(C)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1
InChIInChI=1S/C25H35N7O.C24H28N8O.C23H25N7O.C23H26N6O.2C22H23N7O/c1-24(2)13-19(14-25(3,4)30-24)31(5)23-9-8-21(28-29-23)20-7-6-17(12-22(20)33)18-15-27-32(16-18)11-10-26;1-16-11-20(28-32-13-17(2)26-23(16)32)19-12-22(33)31-14-18(3-4-21(31)27-19)29-9-10-30(8-7-25)24(15-29)5-6-24;1-15-10-20(26-30-12-16(2)24-23(15)30)19-11-22(31)29-14-18(5-6-21(29)25-19)28-9-8-27-7-3-4-17(27)13-28;1-4-16-11-20(26-29-13-15(2)24-23(16)29)19-12-22(30)28-14-18(5-6-21(28)25-19)17-7-9-27(3)10-8-17;1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22;1-15-12-29-21(23-15)7-5-18(25-29)19-11-22(30)28-14-17(4-6-20(28)24-19)27-10-9-26-8-2-3-16(26)13-27/h6-9,12,15-16,19,30,33H,10-11,13-14,26H2,1-5H3;3-4,11-14H,5-10,15,25H2,1-2H3;5-6,10-12,14,17H,3-4,7-9,13H2,1-2H3;5-6,11-14,17H,4,7-10H2,1-3H3;3-4,9-12,23H,5-8,13H2,1-2H3;4-7,11-12,14,16H,2-3,8-10,13H2,1H3/t;;17-;;;16-/m..0..0/s1
InChIKeyBSCNDMNLZGQWOX-DOZZEERBSA-N
XLogP14.40
TPSA491.89 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds19
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002515.10
LogP ≤ 514.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Analyze 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 157444935) is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCc1cc(-c2cc(=O)n3cc(C4CCN(C)CC4)ccc3n2)nn2cc(C)nc12.CN(c1ccc(-c2ccc(-c3cnn(CCN)c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN(CCN)C6(CC6)C5)ccc4n3)cc(C)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)cc(C)c2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)ccc2n1.Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1.
What is the InChIKey of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BSCNDMNLZGQWOX-DOZZEERBSA-N. The full InChI is InChI=1S/C25H35N7O.C24H28N8O.C23H25N7O.C23H26N6O.2C22H23N7O/c1-24(2)13-19(14-25(3,4)30-24)31(5)23-9-8-21(28-29-23)20-7-6-17(12-22(20)33)18-15-27-32(16-18)11-10-26;1-16-11-20(28-32-13-17(2)26-23(16)32)19-12-22(33)31-14-18(3-4-21(31)27-19)29-9-10-30(8-7-25)24(15-29)5-6-24;1-15-10-20(26-30-12-16(2)24-23(15)30)19-11-22(31)29-14-18(5-6-21(29)25-19)28-9-8-27-7-3-4-17(27)13-28;1-4-16-11-20(26-29-13-15(2)24-23(16)29)19-12-22(30)28-14-18(5-6-21(28)25-19)17-7-9-27(3)10-8-17;1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22;1-15-12-29-21(23-15)7-5-18(25-29)19-11-22(30)28-14-17(4-6-20(28)24-19)27-10-9-26-8-2-3-16(26)13-27/h6-9,12,15-16,19,30,33H,10-11,13-14,26H2,1-5H3;3-4,11-14H,5-10,15,25H2,1-2H3;5-6,10-12,14,17H,3-4,7-9,13H2,1-2H3;5-6,11-14,17H,4,7-10H2,1-3H3;3-4,9-12,23H,5-8,13H2,1-2H3;4-7,11-12,14,16H,2-3,8-10,13H2,1H3/t;;17-;;;16-/m..0..0/s1.
What are the key properties of 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 2515.10 g/mol, XLogP of 14.40, 19 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(2-aminoethyl)-4,7-diazaspiro[2.5]octan-7-yl]-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;5-[1-(2-aminoethyl)pyrazol-4-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157444935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).