[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C141H125Cl3F4N42O7 — CID 159408861

IUPAC[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc2c1.Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4ncc5cc(Cl)ccc5n4)CC3C2)c1.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4cc(Cl)ccc4n3)CC2C1.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4cc(Cl)ccc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1
InChIInChI=1S/C25H25N7O2.C24H22ClN7O.C23H19ClFN7O.C23H20ClN7O.C23H19F2N7O.C23H20FN7O/c1-16-3-6-23(32-27-7-8-28-32)21(9-16)24(33)30-12-18-14-31(15-19(18)13-30)25-26-11-17-10-20(34-2)4-5-22(17)29-25;1-15-2-5-22(32-27-6-7-28-32)20(8-15)23(33)30-11-17-13-31(14-18(17)12-30)24-26-10-16-9-19(25)3-4-21(16)29-24;24-17-4-5-19-14(8-17)9-26-23(29-19)31-12-15-10-30(11-16(15)13-31)22(33)21-18(25)2-1-3-20(21)32-27-6-7-28-32;24-18-5-6-20-15(9-18)10-25-23(28-20)30-13-16-11-29(12-17(16)14-30)22(32)19-3-1-2-4-21(19)31-26-7-8-27-31;24-17-4-5-19-14(8-17)9-26-23(29-19)31-12-15-10-30(11-16(15)13-31)22(33)21-18(25)2-1-3-20(21)32-27-6-7-28-32;24-18-5-6-20-15(9-18)10-25-23(28-20)30-13-16-11-29(12-17(16)14-30)22(32)19-3-1-2-4-21(19)31-26-7-8-27-31/h3-11,18-19H,12-15H2,1-2H3;2-10,17-18H,11-14H2,1H3;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2
InChIKeyLOHVWBYAFZBXMB-UHFFFAOYSA-N
MW2702.19 g/mol
LogP17.66
Rot. Bonds19

About [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 159408861) has the molecular formula C141H125Cl3F4N42O7 and a molecular weight of 2702.19 g/mol. Its IUPAC name is [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID159408861
Molecular FormulaC141H125Cl3F4N42O7
Molecular Weight2702.19 g/mol
Exact Mass2698.97
IUPAC Name[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc2c1.Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4ncc5cc(Cl)ccc5n4)CC3C2)c1.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4cc(Cl)ccc4n3)CC2C1.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4cc(Cl)ccc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1
InChIInChI=1S/C25H25N7O2.C24H22ClN7O.C23H19ClFN7O.C23H20ClN7O.C23H19F2N7O.C23H20FN7O/c1-16-3-6-23(32-27-7-8-28-32)21(9-16)24(33)30-12-18-14-31(15-19(18)13-30)25-26-11-17-10-20(34-2)4-5-22(17)29-25;1-15-2-5-22(32-27-6-7-28-32)20(8-15)23(33)30-11-17-13-31(14-18(17)12-30)24-26-10-16-9-19(25)3-4-21(16)29-24;24-17-4-5-19-14(8-17)9-26-23(29-19)31-12-15-10-30(11-16(15)13-31)22(33)21-18(25)2-1-3-20(21)32-27-6-7-28-32;24-18-5-6-20-15(9-18)10-25-23(28-20)30-13-16-11-29(12-17(16)14-30)22(32)19-3-1-2-4-21(19)31-26-7-8-27-31;24-17-4-5-19-14(8-17)9-26-23(29-19)31-12-15-10-30(11-16(15)13-31)22(33)21-18(25)2-1-3-20(21)32-27-6-7-28-32;24-18-5-6-20-15(9-18)10-25-23(28-20)30-13-16-11-29(12-17(16)14-30)22(32)19-3-1-2-4-21(19)31-26-7-8-27-31/h3-11,18-19H,12-15H2,1-2H3;2-10,17-18H,11-14H2,1H3;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2
InChIKeyLOHVWBYAFZBXMB-UHFFFAOYSA-N
XLogP17.66
TPSA489.47 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds19
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002702.19
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569719
[2-(7-Fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(7-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[2-(7-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(7-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(7-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 158416291
(2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 159388723
(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 159817085
3-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;3-[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide;bis(4-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide)
CID 161089385
(2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;(5-cyclopropyl-1-methylpyrazol-4-yl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 161790387
[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[4-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
CID 164992248
[3-Chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone
CID 167611281
(2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 167613986

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 159408861) is [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is COc1ccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc2c1.Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4ncc5cc(Cl)ccc5n4)CC3C2)c1.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4cc(Cl)ccc4n3)CC2C1.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4cc(Cl)ccc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1.
What is the InChIKey of [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is LOHVWBYAFZBXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.C24H22ClN7O.C23H19ClFN7O.C23H20ClN7O.C23H19F2N7O.C23H20FN7O/c1-16-3-6-23(32-27-7-8-28-32)21(9-16)24(33)30-12-18-14-31(15-19(18)13-30)25-26-11-17-10-20(34-2)4-5-22(17)29-25;1-15-2-5-22(32-27-6-7-28-32)20(8-15)23(33)30-11-17-13-31(14-18(17)12-30)24-26-10-16-9-19(25)3-4-21(16)29-24;24-17-4-5-19-14(8-17)9-26-23(29-19)31-12-15-10-30(11-16(15)13-31)22(33)21-18(25)2-1-3-20(21)32-27-6-7-28-32;24-18-5-6-20-15(9-18)10-25-23(28-20)30-13-16-11-29(12-17(16)14-30)22(32)19-3-1-2-4-21(19)31-26-7-8-27-31;24-17-4-5-19-14(8-17)9-26-23(29-19)31-12-15-10-30(11-16(15)13-31)22(33)21-18(25)2-1-3-20(21)32-27-6-7-28-32;24-18-5-6-20-15(9-18)10-25-23(28-20)30-13-16-11-29(12-17(16)14-30)22(32)19-3-1-2-4-21(19)31-26-7-8-27-31/h3-11,18-19H,12-15H2,1-2H3;2-10,17-18H,11-14H2,1H3;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2.
What are the key properties of [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 2702.19 g/mol, XLogP of 17.66, 19 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;[2-(6-chloroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone;[2-(6-fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone;[2-(6-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 159408861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).