7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one

C96H110N26O5 — CID 158873508

IUPAC7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CC[C@@H](N(C)C)C5)cc(C)c4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(NCCN5CCOCC5)ccc4n3)cc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN6CCC[C@@]6(C)C5)ccc4n3)cc(C)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)cc(C)c2n1
InChIInChI=1S/C25H28N6O.C24H29N7O.C24H26N6O.C23H27N7O2/c1-17-11-19(14-29-13-18(2)26-24(17)29)21-12-23(32)31-15-20(5-6-22(31)27-21)28-9-10-30-8-4-7-25(30,3)16-28;1-6-19-22-10-21(27-31(22)12-16(3)25-19)20-11-23(32)30-14-18(9-15(2)24(30)26-20)29-8-7-17(13-29)28(4)5;1-16-10-18(13-29-12-17(2)25-24(16)29)21-11-23(31)30-15-20(5-6-22(30)26-21)28-9-8-27-7-3-4-19(27)14-28;1-3-18-21-12-20(27-30(21)14-16(2)25-18)19-13-23(31)29-15-17(4-5-22(29)26-19)24-6-7-28-8-10-32-11-9-28/h5-6,11-15H,4,7-10,16H2,1-3H3;9-12,14,17H,6-8,13H2,1-5H3;5-6,10-13,15,19H,3-4,7-9,14H2,1-2H3;4-5,12-15,24H,3,6-11H2,1-2H3/t25-;17-;19-;/m010./s1
InChIKeyJCDGKFMRVJZNBZ-PQURPCSOSA-N
MW1708.11 g/mol
LogP10.95
Rot. Bonds14

About 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158873508) has the molecular formula C96H110N26O5 and a molecular weight of 1708.11 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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID158873508
Molecular FormulaC96H110N26O5
Molecular Weight1708.11 g/mol
Exact Mass1706.92
IUPAC Name7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CC[C@@H](N(C)C)C5)cc(C)c4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(NCCN5CCOCC5)ccc4n3)cc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN6CCC[C@@]6(C)C5)ccc4n3)cc(C)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)ccc4n3)cc(C)c2n1
InChIInChI=1S/C25H28N6O.C24H29N7O.C24H26N6O.C23H27N7O2/c1-17-11-19(14-29-13-18(2)26-24(17)29)21-12-23(32)31-15-20(5-6-22(31)27-21)28-9-10-30-8-4-7-25(30,3)16-28;1-6-19-22-10-21(27-31(22)12-16(3)25-19)20-11-23(32)30-14-18(9-15(2)24(30)26-20)29-8-7-17(13-29)28(4)5;1-16-10-18(13-29-12-17(2)25-24(16)29)21-11-23(31)30-15-20(5-6-22(30)26-21)28-9-8-27-7-3-4-19(27)14-28;1-3-18-21-12-20(27-30(21)14-16(2)25-18)19-13-23(31)29-15-17(4-5-22(29)26-19)24-6-7-28-8-10-32-11-9-28/h5-6,11-15H,4,7-10,16H2,1-3H3;9-12,14,17H,6-8,13H2,1-5H3;5-6,10-13,15,19H,3-4,7-9,14H2,1-2H3;4-5,12-15,24H,3,6-11H2,1-2H3/t25-;17-;19-;/m010./s1
InChIKeyJCDGKFMRVJZNBZ-PQURPCSOSA-N
XLogP10.95
TPSA276.40 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.11
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

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CID 155376256

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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one (CID 158873508) is 7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one is CCc1nc(C)cn2nc(-c3cc(=O)n4cc(N5CC[C@@H](N(C)C)C5)cc(C)c4n3)cc12.CCc1nc(C)cn2nc(-c3cc(=O)n4cc(NCCN5CCOCC5)ccc4n3)cc12.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN6CCC[C@@]6(C)C5)ccc4n3)cc(C)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN6CCC[C@H]6C5)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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JCDGKFMRVJZNBZ-PQURPCSOSA-N. The full InChI is InChI=1S/C25H28N6O.C24H29N7O.C24H26N6O.C23H27N7O2/c1-17-11-19(14-29-13-18(2)26-24(17)29)21-12-23(32)31-15-20(5-6-22(31)27-21)28-9-10-30-8-4-7-25(30,3)16-28;1-6-19-22-10-21(27-31(22)12-16(3)25-19)20-11-23(32)30-14-18(9-15(2)24(30)26-20)29-8-7-17(13-29)28(4)5;1-16-10-18(13-29-12-17(2)25-24(16)29)21-11-23(31)30-15-20(5-6-22(30)26-21)28-9-8-27-7-3-4-19(27)14-28;1-3-18-21-12-20(27-30(21)14-16(2)25-18)19-13-23(31)29-15-17(4-5-22(29)26-19)24-6-7-28-8-10-32-11-9-28/h5-6,11-15H,4,7-10,16H2,1-3H3;9-12,14,17H,6-8,13H2,1-5H3;5-6,10-13,15,19H,3-4,7-9,14H2,1-2H3;4-5,12-15,24H,3,6-11H2,1-2H3/t25-;17-;19-;/m010./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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 1708.11 g/mol, XLogP of 10.95, 14 rotatable bonds, 1 hydrogen bond donors, and 31 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-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(8aS)-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-(dimethylamino)pyrrolidin-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-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158873508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).