About 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167655831) has the molecular formula C147H104Cl5F13N30O8
and a molecular weight of 2842.89 g/mol. Its IUPAC name is 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
Frequently Asked Questions
What is the IUPAC name of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167655831) is 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1COc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)C3)ccc2C1.Cc1ccc(C2=C(F)N=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1F.Cc1ccc(C2=CN=C(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)C2)c(F)c1F.
What is the InChIKey of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is RFZKHANAYZIMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H22ClF3N6O2.C31H23ClF2N6O2.C27H18ClF3N6O.C27H19ClF2N6O/c1-14-6-16-3-2-15(7-26(16)43-13-14)18-10-23(36-30(18)35)28-19-9-20(19)31-37-22(11-27(42)41(28)31)21-8-17(32)4-5-25(21)40-12-24(29(33)34)38-39-40;1-14-6-16-3-2-15(7-26(16)43-13-14)22-10-21(30(35)36-22)28-18-9-19(18)31-37-23(11-27(42)41(28)31)20-8-17(32)4-5-25(20)40-12-24(29(33)34)38-39-40;1-15-6-17-3-2-16(8-27(17)42-14-15)23-7-18(12-35-23)29-20-10-21(20)31-36-24(11-28(41)40(29)31)22-9-19(32)4-5-26(22)39-13-25(30(33)34)37-38-39;1-12-2-4-15(25(30)24(12)29)19-10-20(33-27(19)31)26-18-9-17(18)22-6-13(7-23(38)37(22)26)16-8-14(28)3-5-21(16)36-11-32-34-35-36;1-13-2-4-17(26(30)25(13)29)15-6-21(31-11-15)27-20-10-19(20)23-7-14(8-24(37)36(23)27)18-9-16(28)3-5-22(18)35-12-32-33-34-35/h2-5,7-8,11-12,19-20,28-29H,1,6,9-10,13H2;2-5,7-8,11-12,18-19,28-29H,1,6,9-10,13H2;2-5,8-9,11-13,20-21,29-30H,1,6-7,10,14H2;2-8,11,17-18,26H,9-10H2,1H3;2-5,7-9,11-12,19-20,27H,6,10H2,1H3.
What are the key properties of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2842.89 g/mol, XLogP of 29.58, 23 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-4-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(2,3-difluoro-4-methylphenyl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167655831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).