About [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone
[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone (PubChem CID 161171989) has the molecular formula C74H81Cl4F6N17O3
and a molecular weight of 1512.38 g/mol. Its IUPAC name is [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone.
Analyze [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone (CID 161171989) is [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone is CC(c1ccc(Cl)cc1C(F)(F)F)n1nnc2ccc(C3=CCN(C(=O)C4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1C(F)(F)F)n1nnc2ccc(N3CCN(C(=O)C4CCCN4)CC3)cc21.CC(c1ccc(Cl)cc1Cl)n1nnc2ccc(N3CCN(C(=O)C4CCCCN4)[C@H](C)C3)cc21.
What is the InChIKey of [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is URHOUHWDJCZXLV-XEXCNHMESA-N. The full InChI is InChI=1S/C25H30Cl2N6O.C25H25ClF3N5O.C24H26ClF3N6O/c1-16-15-31(11-12-32(16)25(34)23-5-3-4-10-28-23)19-7-9-22-24(14-19)33(30-29-22)17(2)20-8-6-18(26)13-21(20)27;1-15(19-6-5-18(26)14-20(19)25(27,28)29)34-23-13-17(4-7-21(23)31-32-34)16-8-11-33(12-9-16)24(35)22-3-2-10-30-22;1-15(18-6-4-16(25)13-19(18)24(26,27)28)34-22-14-17(5-7-20(22)30-31-34)32-9-11-33(12-10-32)23(35)21-3-2-8-29-21/h6-9,13-14,16-17,23,28H,3-5,10-12,15H2,1-2H3;4-8,13-15,22,30H,2-3,9-12H2,1H3;4-7,13-15,21,29H,2-3,8-12H2,1H3/t16-,17?,23?;;/m1../s1.
What are the key properties of [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone?
[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 1512.38 g/mol, XLogP of 13.72, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;[4-[3-[1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzotriazol-5-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;[(2R)-4-[3-[1-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-methylpiperazin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 161171989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).