About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 160745599) has the molecular formula C164H143F22N23O10
and a molecular weight of 3014.05 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
Frequently Asked Questions
What is the IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 160745599) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c(C3CC3)c2C(F)F)Cc2cc(F)cc(F)c2)ccc1F.CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(F)(F)F)cn1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c3c(c4ccccc42)CCCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cnc3cc(C)c(C)cc32)ccc1F.
What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is RWDOVTPMIHOBCF-IMCFKQOTSA-N. The full InChI is InChI=1S/C36H32F3N5O3.C35H31F3N4O2.C32H27F7N4O.C32H28F3N5O2.C29H25F6N5O2/c1-40-35(46)28-19-23(13-14-29(28)39)27-10-7-15-41-34(27)30(18-22-16-24(37)20-25(38)17-22)42-33(45)21-43-31-11-5-6-12-32(31)44(36(43)47)26-8-3-2-4-9-26;1-39-35(44)28-18-22(12-13-29(28)38)25-9-6-14-40-34(25)30(17-21-15-23(36)19-24(37)16-21)41-33(43)20-42-31-10-4-2-7-26(31)27-8-3-5-11-32(27)42;1-16(40)25-13-19(6-7-26(25)35)24-3-2-8-41-28(24)20(9-17-10-21(33)14-22(34)11-17)12-23(44)15-43-30(32(38)39)27(18-4-5-18)29(42-43)31(36)37;1-18-9-27-29(10-19(18)2)40(17-38-27)16-30(41)39-28(13-20-11-22(33)15-23(34)12-20)31-24(5-4-8-37-31)21-6-7-26(35)25(14-21)32(42)36-3;1-3-25(40-15-18(14-38-40)29(33,34)35)28(42)39-24(11-16-9-19(30)13-20(31)10-16)26-21(5-4-8-37-26)17-6-7-23(32)22(12-17)27(41)36-2/h5-8,10-17,19-20,30H,2-4,9,18,21H2,1H3,(H,40,46)(H,42,45);2,4,6-7,9-10,12-16,18-19,30H,3,5,8,11,17,20H2,1H3,(H,39,44)(H,41,43);2-3,6-8,10-11,13-14,18,20,31-32H,1,4-5,9,12,15,40H2;4-12,14-15,17,28H,13,16H2,1-3H3,(H,36,42)(H,39,41);4-10,12-15,24-25H,3,11H2,1-2H3,(H,36,41)(H,39,42)/t2*30-;20-;28-;24-,25?/m00100/s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 3014.05 g/mol, XLogP of 32.03, 46 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[4-cyclopropyl-3,5-bis(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 160745599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).