About 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167543382) has the molecular formula C156H118Cl5F9N30O7
and a molecular weight of 2873.11 g/mol. Its IUPAC name is 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167543382) is 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1CCc2cc(C3=C(F)N=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1CCc2cc(C3=NC(F)=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1CCc2cc(C3=NC=C(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.C=C1COc2cc(C3=CN=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)ccc2C1.
What is the InChIKey of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is BMELFSYDTDTOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H24ClF3N6O.C32H25ClF2N6O.C30H22ClFN6O2.C30H23ClN6O2/c1-15-2-3-17-9-18(5-4-16(17)8-15)20-12-25(37-31(20)36)29-21-11-22(21)32-38-24(13-28(43)42(29)32)23-10-19(33)6-7-27(23)41-14-26(30(34)35)39-40-41;1-15-2-3-17-9-18(5-4-16(17)8-15)24-12-23(31(36)37-24)29-20-11-21(20)32-38-25(13-28(43)42(29)32)22-10-19(33)6-7-27(22)41-14-26(30(34)35)39-40-41;1-16-2-3-18-9-19(5-4-17(18)8-16)25-10-20(14-36-25)30-22-12-23(22)32-37-26(13-29(42)41(30)32)24-11-21(33)6-7-28(24)40-15-27(31(34)35)38-39-40;1-15-6-17-3-2-16(8-27(17)40-13-15)21-12-24(34-30(21)32)29-23-11-22(23)26-7-18(9-28(39)38(26)29)20-10-19(31)4-5-25(20)37-14-33-35-36-37;1-16-6-18-3-2-17(9-28(18)39-14-16)20-7-25(32-13-20)30-24-12-23(24)27-8-19(10-29(38)37(27)30)22-11-21(31)4-5-26(22)36-15-33-34-35-36/h4-7,9-10,13-14,21-22,29-30H,1-3,8,11-12H2;4-7,9-10,13-14,20-21,29-30H,1-3,8,11-12H2;4-7,9,11,13-15,22-23,30-31H,1-3,8,10,12H2;2-5,7-10,14,22-23,29H,1,6,11-13H2;2-5,8-11,13,15,23-24,30H,1,6-7,12,14H2.
What are the key properties of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-2-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2873.11 g/mol, XLogP of 31.05, 23 rotatable bonds, 0 hydrogen bond donors, and 37 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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-(6-methylidene-7,8-dihydro-5H-naphthalen-2-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-[5-fluoro-4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-methylidene-4H-chromen-7-yl)-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167543382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).