[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

C144H134F4N42O10 — CID 158416291

IUPAC[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
SMILESCOc1ccc2cnc(N3CC4CN(C(=O)c5c(F)cccc5-n5nccn5)CC4C3)nc2c1.COc1ccc2cnc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)nc2c1.COc1ccc2cnc(N3CC4CN(C(=O)c5ccccc5-n5nccn5)CC4C3)nc2c1.COc1cccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc12.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4ccc(F)cc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4ccc(F)cc4n3)CC2C1
InChIInChI=1S/2C25H25N7O2.C24H22FN7O2.C24H23N7O2.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)25-26-11-17-4-5-20(34-2)10-22(17)29-25;1-16-6-7-22(32-27-8-9-28-32)19(10-16)24(33)30-12-17-14-31(15-18(17)13-30)25-26-11-20-21(29-25)4-3-5-23(20)34-2;1-34-18-6-5-15-10-26-24(29-20(15)9-18)31-13-16-11-30(12-17(16)14-31)23(33)22-19(25)3-2-4-21(22)32-27-7-8-28-32;1-33-19-7-6-16-11-25-24(28-21(16)10-19)30-14-17-12-29(13-18(17)15-30)23(32)20-4-2-3-5-22(20)31-26-8-9-27-31;24-17-5-4-14-9-26-23(29-19(14)8-17)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;24-18-6-5-15-10-25-23(28-20(15)9-18)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;3-11,17-18H,12-15H2,1-2H3;2-10,16-17H,11-14H2,1H3;2-11,17-18H,12-15H2,1H3;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2
InChIKeyGZXYLLHYUCGUCP-UHFFFAOYSA-N
MW2688.93 g/mol
LogP15.72
Rot. Bonds22

About [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

[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 (PubChem CID 158416291) has the molecular formula C144H134F4N42O10 and a molecular weight of 2688.93 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158416291
Molecular FormulaC144H134F4N42O10
Molecular Weight2688.93 g/mol
Exact Mass2687.12
IUPAC Name[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
SMILESCOc1ccc2cnc(N3CC4CN(C(=O)c5c(F)cccc5-n5nccn5)CC4C3)nc2c1.COc1ccc2cnc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)nc2c1.COc1ccc2cnc(N3CC4CN(C(=O)c5ccccc5-n5nccn5)CC4C3)nc2c1.COc1cccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc12.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4ccc(F)cc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4ccc(F)cc4n3)CC2C1
InChIInChI=1S/2C25H25N7O2.C24H22FN7O2.C24H23N7O2.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)25-26-11-17-4-5-20(34-2)10-22(17)29-25;1-16-6-7-22(32-27-8-9-28-32)19(10-16)24(33)30-12-17-14-31(15-18(17)13-30)25-26-11-20-21(29-25)4-3-5-23(20)34-2;1-34-18-6-5-15-10-26-24(29-20(15)9-18)31-13-16-11-30(12-17(16)14-31)23(33)22-19(25)3-2-4-21(22)32-27-7-8-28-32;1-33-19-7-6-16-11-25-24(28-21(16)10-19)30-14-17-12-29(13-18(17)15-30)23(32)20-4-2-3-5-22(20)31-26-8-9-27-31;24-17-5-4-14-9-26-23(29-19(14)8-17)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;24-18-6-5-15-10-25-23(28-20(15)9-18)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;3-11,17-18H,12-15H2,1-2H3;2-10,16-17H,11-14H2,1H3;2-11,17-18H,12-15H2,1H3;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2
InChIKeyGZXYLLHYUCGUCP-UHFFFAOYSA-N
XLogP15.72
TPSA517.16 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds22
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002688.93
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze [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 with MolForge

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Related Compounds

[2-(6-Fluoroquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
CID 69939279
[2-Fluoro-6-(triazol-2-yl)phenyl]-[2-(5-methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 129179393
[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
CID 129179450
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158062369
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[6-(1,1-difluoroethyl)-5-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide;methane
CID 158220183
[2-(1,4-Dimethylpyrazol-5-yl)-6-methoxyphenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158713820
[2-(5-Fluoropyrimidin-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159639644
(5-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-methoxy-6-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 160211313
bis(6-(3H-dibenzofuran-3-id-4-yl)pyrido[2,3-b]pyrazine);tris(iridium(3+));bis(9-methyl-1-(4-methylquinolin-2-yl)-2H-carbazol-2-ide);bis(9-methyl-1-quinolin-2-yl-2H-carbazol-2-ide);tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 161792284
(7-Ethoxyquinolin-8-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methoxy-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 161805983
[2-(5-Methoxyquinazolin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 129179405
[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
CID 129179451

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ccc2cnc(N3CC4CN(C(=O)c5c(F)cccc5-n5nccn5)CC4C3)nc2c1.COc1ccc2cnc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)nc2c1.COc1ccc2cnc(N3CC4CN(C(=O)c5ccccc5-n5nccn5)CC4C3)nc2c1.COc1cccc2nc(N3CC4CN(C(=O)c5cc(C)ccc5-n5nccn5)CC4C3)ncc12.O=C(c1c(F)cccc1-n1nccn1)N1CC2CN(c3ncc4ccc(F)cc4n3)CC2C1.O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ncc4ccc(F)cc4n3)CC2C1.
What is the InChIKey of [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?
The InChIKey is GZXYLLHYUCGUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25N7O2.C24H22FN7O2.C24H23N7O2.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)25-26-11-17-4-5-20(34-2)10-22(17)29-25;1-16-6-7-22(32-27-8-9-28-32)19(10-16)24(33)30-12-17-14-31(15-18(17)13-30)25-26-11-20-21(29-25)4-3-5-23(20)34-2;1-34-18-6-5-15-10-26-24(29-20(15)9-18)31-13-16-11-30(12-17(16)14-31)23(33)22-19(25)3-2-4-21(22)32-27-7-8-28-32;1-33-19-7-6-16-11-25-24(28-21(16)10-19)30-14-17-12-29(13-18(17)15-30)23(32)20-4-2-3-5-22(20)31-26-8-9-27-31;24-17-5-4-14-9-26-23(29-19(14)8-17)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;24-18-6-5-15-10-25-23(28-20(15)9-18)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;3-11,17-18H,12-15H2,1-2H3;2-10,16-17H,11-14H2,1H3;2-11,17-18H,12-15H2,1H3;1-9,15-16H,10-13H2;1-10,16-17H,11-14H2.
What are the key properties of [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?
[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 has a molecular weight of 2688.93 g/mol, XLogP of 15.72, 22 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158416291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).