2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide

C123H100Cl2F24N30O10S5 — CID 159680367

IUPAC2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](Nc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1)c1ccc(S(N)(=O)=O)c(Cl)c1.Cc1cc(S(N)(=O)=O)ccc1CNc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)c(C(F)(F)F)c1.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1Cl.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1F
InChIInChI=1S/C25H21ClF4N6O2S.C25H19F7N6O2S.C25H22F4N6O2S.C24H19ClF4N6O2S.C24H19F5N6O2S/c1-13(15-4-9-20(17(26)12-15)39(31,37)38)32-23-34-19-8-7-18(14-2-5-16(27)6-3-14)33-21(19)22(35-23)36-24(10-11-24)25(28,29)30;26-15-4-1-13(2-5-15)18-7-8-19-20(35-18)21(38-23(9-10-23)25(30,31)32)37-22(36-19)34-12-14-3-6-16(41(33,39)40)11-17(14)24(27,28)29;1-14-12-18(38(30,36)37)7-4-16(14)13-31-23-33-20-9-8-19(15-2-5-17(26)6-3-15)32-21(20)22(34-23)35-24(10-11-24)25(27,28)29;25-16-11-13(1-8-19(16)38(30,36)37)12-31-22-33-18-7-6-17(14-2-4-15(26)5-3-14)32-20(18)21(34-22)35-23(9-10-23)24(27,28)29;25-15-4-2-14(3-5-15)17-6-7-18-20(32-17)21(35-23(9-10-23)24(27,28)29)34-22(33-18)31-12-13-1-8-19(16(26)11-13)38(30,36)37/h2-9,12-13H,10-11H2,1H3,(H2,31,37,38)(H2,32,34,35,36);1-8,11H,9-10,12H2,(H2,33,39,40)(H2,34,36,37,38);2-9,12H,10-11,13H2,1H3,(H2,30,36,37)(H2,31,33,34,35);2*1-8,11H,9-10,12H2,(H2,30,36,37)(H2,31,33,34,35)/t13-;;;;/m1..../s1
InChIKeyMVDDMOKLNSPVSR-SVZPRBGCSA-N
MW2845.55 g/mol
LogP26.32
Rot. Bonds35

About 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide

2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159680367) has the molecular formula C123H100Cl2F24N30O10S5 and a molecular weight of 2845.55 g/mol. Its IUPAC name is 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID159680367
Molecular FormulaC123H100Cl2F24N30O10S5
Molecular Weight2845.55 g/mol
Exact Mass2842.58
IUPAC Name2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](Nc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1)c1ccc(S(N)(=O)=O)c(Cl)c1.Cc1cc(S(N)(=O)=O)ccc1CNc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)c(C(F)(F)F)c1.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1Cl.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1F
InChIInChI=1S/C25H21ClF4N6O2S.C25H19F7N6O2S.C25H22F4N6O2S.C24H19ClF4N6O2S.C24H19F5N6O2S/c1-13(15-4-9-20(17(26)12-15)39(31,37)38)32-23-34-19-8-7-18(14-2-5-16(27)6-3-14)33-21(19)22(35-23)36-24(10-11-24)25(28,29)30;26-15-4-1-13(2-5-15)18-7-8-19-20(35-18)21(38-23(9-10-23)25(30,31)32)37-22(36-19)34-12-14-3-6-16(41(33,39)40)11-17(14)24(27,28)29;1-14-12-18(38(30,36)37)7-4-16(14)13-31-23-33-20-9-8-19(15-2-5-17(26)6-3-15)32-21(20)22(34-23)35-24(10-11-24)25(27,28)29;25-16-11-13(1-8-19(16)38(30,36)37)12-31-22-33-18-7-6-17(14-2-4-15(26)5-3-14)32-20(18)21(34-22)35-23(9-10-23)24(27,28)29;25-15-4-2-14(3-5-15)17-6-7-18-20(32-17)21(35-23(9-10-23)24(27,28)29)34-22(33-18)31-12-13-1-8-19(16(26)11-13)38(30,36)37/h2-9,12-13H,10-11H2,1H3,(H2,31,37,38)(H2,32,34,35,36);1-8,11H,9-10,12H2,(H2,33,39,40)(H2,34,36,37,38);2-9,12H,10-11,13H2,1H3,(H2,30,36,37)(H2,31,33,34,35);2*1-8,11H,9-10,12H2,(H2,30,36,37)(H2,31,33,34,35)/t13-;;;;/m1..../s1
InChIKeyMVDDMOKLNSPVSR-SVZPRBGCSA-N
XLogP26.32
TPSA614.45 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002845.55
LogP ≤ 526.32
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

3-Chloro-5-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 44621694
2-chloro-N-(4-piperidyl)-5-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]benzenesulfonamide
CID 24959654
4-[[[6-[4-Chloro-3-(4-isopropylpiperazin-1-yl)sulfonyl-phenyl]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 24959657
2-chloro-N-(1-isopropyl-4-piperidyl)-5-[2-[(4-sulfamoylphenyl)methylamino]-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-6-yl]benzenesulfonamide
CID 49773660
3-[[[6-(4-Chloro-3-methylsulfonylphenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-5-fluorobenzenesulfonamide
CID 44621754
N-tert-butyl-3-[[[6-(4-chloro-3-methylsulfonylphenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-5-fluorobenzenesulfonamide
CID 44621822
3-Chloro-5-[[[6-(2-cyano-4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 44622557
2-Chloro-4-[[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 44622630
2-Chloro-5-{[6-(4-fluoro-phenyl)-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-benzenesulfonamide
CID 58275259
4-{[6-(4-Chloro-3-methanesulfonyl-phenyl)-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-benzenesulfonamide
CID 58275268
2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 58275284
2-Chloro-4-{[6-(4-fluoro-phenyl)-4-(1-trifluoromethyl-cyclopropylamino)-pyrido[3,2-d]pyrimidin-2-ylamino]-methyl}-benzenesulfonamide
CID 58275354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 159680367) is 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide is C[C@@H](Nc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1)c1ccc(S(N)(=O)=O)c(Cl)c1.Cc1cc(S(N)(=O)=O)ccc1CNc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3ccc(F)cc3)ccc2n1.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)c(C(F)(F)F)c1.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1Cl.NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1F.
What is the InChIKey of 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MVDDMOKLNSPVSR-SVZPRBGCSA-N. The full InChI is InChI=1S/C25H21ClF4N6O2S.C25H19F7N6O2S.C25H22F4N6O2S.C24H19ClF4N6O2S.C24H19F5N6O2S/c1-13(15-4-9-20(17(26)12-15)39(31,37)38)32-23-34-19-8-7-18(14-2-5-16(27)6-3-14)33-21(19)22(35-23)36-24(10-11-24)25(28,29)30;26-15-4-1-13(2-5-15)18-7-8-19-20(35-18)21(38-23(9-10-23)25(30,31)32)37-22(36-19)34-12-14-3-6-16(41(33,39)40)11-17(14)24(27,28)29;1-14-12-18(38(30,36)37)7-4-16(14)13-31-23-33-20-9-8-19(15-2-5-17(26)6-3-15)32-21(20)22(34-23)35-24(10-11-24)25(27,28)29;25-16-11-13(1-8-19(16)38(30,36)37)12-31-22-33-18-7-6-17(14-2-4-15(26)5-3-14)32-20(18)21(34-22)35-23(9-10-23)24(27,28)29;25-15-4-2-14(3-5-15)17-6-7-18-20(32-17)21(35-23(9-10-23)24(27,28)29)34-22(33-18)31-12-13-1-8-19(16(26)11-13)38(30,36)37/h2-9,12-13H,10-11H2,1H3,(H2,31,37,38)(H2,32,34,35,36);1-8,11H,9-10,12H2,(H2,33,39,40)(H2,34,36,37,38);2-9,12H,10-11,13H2,1H3,(H2,30,36,37)(H2,31,33,34,35);2*1-8,11H,9-10,12H2,(H2,30,36,37)(H2,31,33,34,35)/t13-;;;;/m1..../s1.
What are the key properties of 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide?
2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2845.55 g/mol, XLogP of 26.32, 35 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1R)-1-[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide;2-chloro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;2-fluoro-4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-methylbenzenesulfonamide;4-[[[6-(4-fluorophenyl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159680367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).