7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one

C110H115Cl3N30O5 — CID 159358845

IUPAC7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CCN1CCC(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3n2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)cc(Cl)c2n1.Cc1cn2nc(-c3cc(=O)n4nc(N5CCC6NCCC6C5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C23H24ClN5O.C22H22ClN5O.C22H24N8O.C22H25N7O.C21H20ClN5O/c1-3-27-8-6-16(7-9-27)17-4-5-21-26-20(11-22(30)29(21)14-17)18-10-19(24)23-25-15(2)12-28(23)13-18;1-14-11-27-12-17(9-18(23)22(27)24-14)19-10-21(29)28-13-16(3-4-20(28)25-19)15-5-7-26(2)8-6-15;1-13-11-29-19(14(2)24-13)9-18(26-29)17-10-22(31)30-20(25-17)3-4-21(27-30)28-8-6-16-15(12-28)5-7-23-16;1-4-27-9-7-16(8-10-27)17-5-6-21-24-18(12-22(30)29(21)26-17)19-11-20-15(3)23-14(2)13-28(20)25-19;1-13-10-26-11-16(8-17(22)21(26)24-13)18-9-20(28)27-12-15(2-3-19(27)25-18)14-4-6-23-7-5-14/h4-5,10-14,16H,3,6-9H2,1-2H3;3-4,9-13,15H,5-8H2,1-2H3;3-4,9-11,15-16,23H,5-8,12H2,1-2H3;5-6,11-13,16H,4,7-10H2,1-3H3;2-3,8-12,14,23H,4-7H2,1H3
InChIKeyLIGRTPTZKATZSC-UHFFFAOYSA-N
MW2043.69 g/mol
LogP15.61
Rot. Bonds12

About 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one

7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one (PubChem CID 159358845) has the molecular formula C110H115Cl3N30O5 and a molecular weight of 2043.69 g/mol. Its IUPAC name is 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one
PubChem CID159358845
Molecular FormulaC110H115Cl3N30O5
Molecular Weight2043.69 g/mol
Exact Mass2040.87
IUPAC Name7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one
SMILESCCN1CCC(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CCN1CCC(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3n2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)cc(Cl)c2n1.Cc1cn2nc(-c3cc(=O)n4nc(N5CCC6NCCC6C5)ccc4n3)cc2c(C)n1
InChIInChI=1S/C23H24ClN5O.C22H22ClN5O.C22H24N8O.C22H25N7O.C21H20ClN5O/c1-3-27-8-6-16(7-9-27)17-4-5-21-26-20(11-22(30)29(21)14-17)18-10-19(24)23-25-15(2)12-28(23)13-18;1-14-11-27-12-17(9-18(23)22(27)24-14)19-10-21(29)28-13-16(3-4-20(28)25-19)15-5-7-26(2)8-6-15;1-13-11-29-19(14(2)24-13)9-18(26-29)17-10-22(31)30-20(25-17)3-4-21(27-30)28-8-6-16-15(12-28)5-7-23-16;1-4-27-9-7-16(8-10-27)17-5-6-21-24-18(12-22(30)29(21)26-17)19-11-20-15(3)23-14(2)13-28(20)25-19;1-13-10-26-11-16(8-17(22)21(26)24-13)18-9-20(28)27-12-15(2-3-19(27)25-18)14-4-6-23-7-5-14/h4-5,10-14,16H,3,6-9H2,1-2H3;3-4,9-13,15H,5-8H2,1-2H3;3-4,9-11,15-16,23H,5-8,12H2,1-2H3;5-6,11-13,16H,4,7-10H2,1-3H3;2-3,8-12,14,23H,4-7H2,1H3
InChIKeyLIGRTPTZKATZSC-UHFFFAOYSA-N
XLogP15.61
TPSA346.93 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.69
LogP ≤ 515.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one (CID 159358845) is 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one is CCN1CCC(c2ccc3nc(-c4cc(Cl)c5nc(C)cn5c4)cc(=O)n3c2)CC1.CCN1CCC(c2ccc3nc(-c4cc5c(C)nc(C)cn5n4)cc(=O)n3n2)CC1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCN(C)CC5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(C5CCNCC5)ccc4n3)cc(Cl)c2n1.Cc1cn2nc(-c3cc(=O)n4nc(N5CCC6NCCC6C5)ccc4n3)cc2c(C)n1.
What is the InChIKey of 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one?
The InChIKey is LIGRTPTZKATZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O.C22H22ClN5O.C22H24N8O.C22H25N7O.C21H20ClN5O/c1-3-27-8-6-16(7-9-27)17-4-5-21-26-20(11-22(30)29(21)14-17)18-10-19(24)23-25-15(2)12-28(23)13-18;1-14-11-27-12-17(9-18(23)22(27)24-14)19-10-21(29)28-13-16(3-4-20(28)25-19)15-5-7-26(2)8-6-15;1-13-11-29-19(14(2)24-13)9-18(26-29)17-10-22(31)30-20(25-17)3-4-21(27-30)28-8-6-16-15(12-28)5-7-23-16;1-4-27-9-7-16(8-10-27)17-5-6-21-24-18(12-22(30)29(21)26-17)19-11-20-15(3)23-14(2)13-28(20)25-19;1-13-10-26-11-16(8-17(22)21(26)24-13)18-9-20(28)27-12-15(2-3-19(27)25-18)14-4-6-23-7-5-14/h4-5,10-14,16H,3,6-9H2,1-2H3;3-4,9-13,15H,5-8H2,1-2H3;3-4,9-11,15-16,23H,5-8,12H2,1-2H3;5-6,11-13,16H,4,7-10H2,1-3H3;2-3,8-12,14,23H,4-7H2,1H3.
What are the key properties of 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one?
7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one has a molecular weight of 2043.69 g/mol, XLogP of 15.61, 12 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrimido[1,2-b]pyridazin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 159358845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).