About [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
[3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 160744216) has the molecular formula C133H122ClF6N27O6
and a molecular weight of 2344.06 g/mol. Its IUPAC name is [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
Frequently Asked Questions
What is the IUPAC name of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 160744216) is [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is Cc1cnn(CC23CC(C(=O)N4N=CCC4c4cccc(C#N)c4)(C2)C3)c1.Cc1cnn(CC23CC(C(=O)N4N=CCC4c4ccccc4)(C2)C3)c1.N#Cc1cccc(C2CC=NN2C(=O)C23CC(Cn4ncc5ccccc54)(C2)C3)c1.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3ccc4cccnc43)(C1)C2.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3ccc4cncnc43)(C1)C2.O=C(N1N=CCC1c1cc(F)cc(F)c1)C12CC(Cn3nc4ccccc4c3Cl)(C1)C2.
What is the InChIKey of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is RVZFTYRCZOWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O.C23H19ClF2N4O.C23H20F2N4O.C22H19F2N5O.C21H21N5O.C20H22N4O/c25-11-17-4-3-6-18(10-17)21-8-9-26-29(21)22(30)24-13-23(14-24,15-24)16-28-20-7-2-1-5-19(20)12-27-28;24-20-17-3-1-2-4-18(17)28-29(20)13-22-10-23(11-22,12-22)21(31)30-19(5-6-27-30)14-7-15(25)9-16(26)8-14;24-17-8-16(9-18(25)10-17)19-3-6-27-29(19)21(30)23-11-22(12-23,13-23)14-28-7-4-15-2-1-5-26-20(15)28;23-16-5-15(6-17(24)7-16)18-1-3-27-29(18)20(30)22-9-21(10-22,11-22)12-28-4-2-14-8-25-13-26-19(14)28;1-15-9-24-25(10-15)14-20-11-21(12-20,13-20)19(27)26-18(5-6-23-26)17-4-2-3-16(7-17)8-22;1-15-9-22-23(10-15)14-19-11-20(12-19,13-19)18(25)24-17(7-8-21-24)16-5-3-2-4-6-16/h1-7,9-10,12,21H,8,13-16H2;1-4,6-9,19H,5,10-13H2;1-2,4-10,19H,3,11-14H2;2-8,13,18H,1,9-12H2;2-4,6-7,9-10,18H,5,11-14H2,1H3;2-6,8-10,17H,7,11-14H2,1H3.
What are the key properties of [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
[3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 2344.06 g/mol, XLogP of 23.93, 24 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloroindazol-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(pyrrolo[2,3-d]pyrimidin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanone;3-[2-[3-(indazol-1-ylmethyl)bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;3-[2-[3-[(4-methylpyrazol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile;[3-[(4-methylpyrazol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 160744216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).