(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C94H115F2N23O4 — CID 159988736

IUPAC(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(F)(F)CCc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5c4NCCN5)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncn(C)c45)C[C@H]3C2)nc1.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1
InChIInChI=1S/C25H30F2N6O.C24H29N5O.C24H31N5O.C21H25N7O/c1-25(26,27)10-9-18-7-8-22(28-15-18)31-12-13-32-21(16-31)14-20(24(32)34)5-2-4-19-6-3-11-33-23(19)29-17-30-33;1-17-9-10-22(25-14-17)28-11-12-29-20(15-28)13-19(24(29)30)7-3-5-18-6-4-8-21-23(18)27(2)16-26-21;1-17-8-9-22(27-15-17)28-12-13-29-20(16-28)14-19(24(29)30)6-2-4-18-5-3-7-21-23(18)26-11-10-25-21;1-15-11-22-21(23-12-15)26-8-9-27-18(13-26)10-17(20(27)29)5-2-4-16-6-3-7-28-19(16)24-14-25-28/h3,6-8,11,15,17,20-21H,2,4-5,9-10,12-14,16H2,1H3;4,6,8-10,14,16,19-20H,3,5,7,11-13,15H2,1-2H3;3,5,7-9,15,19-20,25-26H,2,4,6,10-14,16H2,1H3;3,6-7,11-12,14,17-18H,2,4-5,8-10,13H2,1H3/t20-,21-;2*19-,20-;17-,18-/m0000/s1
InChIKeyOGQZXIBGHRGZCQ-OLYSHRDBSA-N
MW1669.11 g/mol
LogP12.28
Rot. Bonds23

About (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 159988736) has the molecular formula C94H115F2N23O4 and a molecular weight of 1669.11 g/mol. Its IUPAC name is (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID159988736
Molecular FormulaC94H115F2N23O4
Molecular Weight1669.11 g/mol
Exact Mass1667.95
IUPAC Name(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(F)(F)CCc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5c4NCCN5)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncn(C)c45)C[C@H]3C2)nc1.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1
InChIInChI=1S/C25H30F2N6O.C24H29N5O.C24H31N5O.C21H25N7O/c1-25(26,27)10-9-18-7-8-22(28-15-18)31-12-13-32-21(16-31)14-20(24(32)34)5-2-4-19-6-3-11-33-23(19)29-17-30-33;1-17-9-10-22(25-14-17)28-11-12-29-20(15-28)13-19(24(29)30)7-3-5-18-6-4-8-21-23(18)27(2)16-26-21;1-17-8-9-22(27-15-17)28-12-13-29-20(16-28)14-19(24(29)30)6-2-4-18-5-3-7-21-23(18)26-11-10-25-21;1-15-11-22-21(23-12-15)26-8-9-27-18(13-26)10-17(20(27)29)5-2-4-16-6-3-7-28-19(16)24-14-25-28/h3,6-8,11,15,17,20-21H,2,4-5,9-10,12-14,16H2,1H3;4,6,8-10,14,16,19-20H,3,5,7,11-13,15H2,1-2H3;3,5,7-9,15,19-20,25-26H,2,4,6,10-14,16H2,1H3;3,6-7,11-12,14,17-18H,2,4-5,8-10,13H2,1H3/t20-,21-;2*19-,20-;17-,18-/m0000/s1
InChIKeyOGQZXIBGHRGZCQ-OLYSHRDBSA-N
XLogP12.28
TPSA260.91 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.11
LogP ≤ 512.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(7-{1-[1-(cyclopentylacetyl)piperidin-4-yl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
CID 57387890
US10899769, Example 79
CID 139558291
(4,4-Difluorocyclohexyl)-[4-[[5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]methanone
CID 168219816
4-[[1-[1-[1-[5-[3-[4-[4-[5-(2-Amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171629543
US20240368194, Example 49
CID 172879076
[4-[[4-(4-methylbenzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 54755509
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-[[4-[4-(trifluoromethyl)benzotriazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
CID 54755513
1-[4-[4-Amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 58529884
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
[2-[5-(3-Aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-4-[[5-[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1-(difluoromethyl)pyrazolidin-3-yl]methyl]piperidin-1-yl]-[2-(5-ethylnonan-4-yl)-1,1,6-trimethyl-3-(methylaminomethyl)piperidin-1-ium-4-yl]methanone
CID 123264315
5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 159988736) is (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(F)(F)CCc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5c4NCCN5)C[C@H]3C2)nc1.Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccc5ncn(C)c45)C[C@H]3C2)nc1.Cc1cnc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1.
What is the InChIKey of (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is OGQZXIBGHRGZCQ-OLYSHRDBSA-N. The full InChI is InChI=1S/C25H30F2N6O.C24H29N5O.C24H31N5O.C21H25N7O/c1-25(26,27)10-9-18-7-8-22(28-15-18)31-12-13-32-21(16-31)14-20(24(32)34)5-2-4-19-6-3-11-33-23(19)29-17-30-33;1-17-9-10-22(25-14-17)28-11-12-29-20(15-28)13-19(24(29)30)7-3-5-18-6-4-8-21-23(18)27(2)16-26-21;1-17-8-9-22(27-15-17)28-12-13-29-20(16-28)14-19(24(29)30)6-2-4-18-5-3-7-21-23(18)26-11-10-25-21;1-15-11-22-21(23-12-15)26-8-9-27-18(13-26)10-17(20(27)29)5-2-4-16-6-3-7-28-19(16)24-14-25-28/h3,6-8,11,15,17,20-21H,2,4-5,9-10,12-14,16H2,1H3;4,6,8-10,14,16,19-20H,3,5,7,11-13,15H2,1-2H3;3,5,7-9,15,19-20,25-26H,2,4,6,10-14,16H2,1H3;3,6-7,11-12,14,17-18H,2,4-5,8-10,13H2,1H3/t20-,21-;2*19-,20-;17-,18-/m0000/s1.
What are the key properties of (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 1669.11 g/mol, XLogP of 12.28, 23 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 159988736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).