bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane

C202H154Cl5F31N34O18 — CID 159727750

IUPACbis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane
SMILESC.C.OC[C@H](O)c1cnc(-c2cc3ccnc(Nc4ccc(C(F)(F)F)cc4)c3cn2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3n2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3n2)c(F)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3c2)c(F)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nncc3c2)c(F)c1.OC[C@H](O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(F)c1
InChIInChI=1S/2C23H17ClF3N3O2.3C22H16ClF3N4O2.4C22H16F4N4O2.2CH4/c2*24-19-10-15(20(32)12-31)11-29-21(19)14-1-6-18-13(9-14)7-8-28-22(18)30-17-4-2-16(3-5-17)23(25,26)27;23-17-7-13(19(32)11-31)9-29-20(17)18-8-12-5-6-27-21(16(12)10-28-18)30-15-3-1-14(2-4-15)22(24,25)26;23-17-8-13(18(32)11-31)9-28-19(17)14-7-12-5-6-27-21(20(12)29-10-14)30-16-3-1-15(2-4-16)22(24,25)26;23-16-9-12(19(32)11-31)10-28-20(16)18-6-5-15-17(30-18)7-8-27-21(15)29-14-3-1-13(2-4-14)22(24,25)26;23-17-7-13(19(32)10-31)9-27-20(17)12-1-6-16-18(8-12)28-11-29-21(16)30-15-4-2-14(3-5-15)22(24,25)26;23-18-8-14(19(32)11-31)9-27-20(18)12-1-6-17-13(7-12)10-28-30-21(17)29-16-4-2-15(3-5-16)22(24,25)26;23-17-8-13(18(32)11-31)9-28-19(17)14-7-12-5-6-27-21(20(12)29-10-14)30-16-3-1-15(2-4-16)22(24,25)26;23-16-9-12(19(32)11-31)10-28-20(16)18-6-5-15-17(30-18)7-8-27-21(15)29-14-3-1-13(2-4-14)22(24,25)26;;/h2*1-11,20,31-32H,12H2,(H,28,30);1-10,19,31-32H,11H2,(H,27,30);1-10,18,31-32H,11H2,(H,27,30);1-10,19,31-32H,11H2,(H,27,29);1-9,11,19,31-32H,10H2,(H,28,29,30);1-10,19,31-32H,11H2,(H,29,30);1-10,18,31-32H,11H2,(H,27,30);1-10,19,31-32H,11H2,(H,27,29);2*1H4/t2*20-;19-;18-;3*19-;18-;19-;;/m000000000../s1
InChIKeyNAVPPVCEWDELOZ-YIDMUUIKSA-N
MW4111.88 g/mol
LogP46.62
Rot. Bonds45

About bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane

bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane (PubChem CID 159727750) has the molecular formula C202H154Cl5F31N34O18 and a molecular weight of 4111.88 g/mol. Its IUPAC name is bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane.

Molecular Properties

Compound Namebis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane
PubChem CID159727750
Molecular FormulaC202H154Cl5F31N34O18
Molecular Weight4111.88 g/mol
Exact Mass4107.01
IUPAC Namebis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane
SMILESC.C.OC[C@H](O)c1cnc(-c2cc3ccnc(Nc4ccc(C(F)(F)F)cc4)c3cn2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3n2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3n2)c(F)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3c2)c(F)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nncc3c2)c(F)c1.OC[C@H](O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(F)c1
InChIInChI=1S/2C23H17ClF3N3O2.3C22H16ClF3N4O2.4C22H16F4N4O2.2CH4/c2*24-19-10-15(20(32)12-31)11-29-21(19)14-1-6-18-13(9-14)7-8-28-22(18)30-17-4-2-16(3-5-17)23(25,26)27;23-17-7-13(19(32)11-31)9-29-20(17)18-8-12-5-6-27-21(16(12)10-28-18)30-15-3-1-14(2-4-15)22(24,25)26;23-17-8-13(18(32)11-31)9-28-19(17)14-7-12-5-6-27-21(20(12)29-10-14)30-16-3-1-15(2-4-16)22(24,25)26;23-16-9-12(19(32)11-31)10-28-20(16)18-6-5-15-17(30-18)7-8-27-21(15)29-14-3-1-13(2-4-14)22(24,25)26;23-17-7-13(19(32)10-31)9-27-20(17)12-1-6-16-18(8-12)28-11-29-21(16)30-15-4-2-14(3-5-15)22(24,25)26;23-18-8-14(19(32)11-31)9-27-20(18)12-1-6-17-13(7-12)10-28-30-21(17)29-16-4-2-15(3-5-16)22(24,25)26;23-17-8-13(18(32)11-31)9-28-19(17)14-7-12-5-6-27-21(20(12)29-10-14)30-16-3-1-15(2-4-16)22(24,25)26;23-16-9-12(19(32)11-31)10-28-20(16)18-6-5-15-17(30-18)7-8-27-21(15)29-14-3-1-13(2-4-14)22(24,25)26;;/h2*1-11,20,31-32H,12H2,(H,28,30);1-10,19,31-32H,11H2,(H,27,30);1-10,18,31-32H,11H2,(H,27,30);1-10,19,31-32H,11H2,(H,27,29);1-9,11,19,31-32H,10H2,(H,28,29,30);1-10,19,31-32H,11H2,(H,29,30);1-10,18,31-32H,11H2,(H,27,30);1-10,19,31-32H,11H2,(H,27,29);2*1H4/t2*20-;19-;18-;3*19-;18-;19-;;/m000000000../s1
InChIKeyNAVPPVCEWDELOZ-YIDMUUIKSA-N
XLogP46.62
TPSA794.66 Ų
H-Bond Donors27
H-Bond Acceptors52
Rotatable Bonds45
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004111.88
LogP ≤ 546.62
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1052

Analyze bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane with MolForge

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Related Compounds

CID 159043767
CID 159043767
CID 159043768
CID 159043768
(1S)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
CID 159225419
1-[5-Fluoro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;1-[5-methyl-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
CID 159225420
(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1R)-1-[5-methyl-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
CID 159225421
(1S)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1S)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
CID 159363373
1-[5-Fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
CID 159363374
(1R)-1-[5-fluoro-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;methane;(1R)-1-[5-methyl-6-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-methyl-6-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol
CID 159363375
CID 159599717
CID 159599717
bis((1S)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1S)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1S)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane
CID 159727748
Bis(1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane
CID 159727749
CID 161591151
CID 161591151

Frequently Asked Questions

What is the IUPAC name of bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane?
The IUPAC name of bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane (CID 159727750) is bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane.
What is the SMILES notation for bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane?
The canonical SMILES for bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane is C.C.OC[C@H](O)c1cnc(-c2cc3ccnc(Nc4ccc(C(F)(F)F)cc4)c3cn2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3n2)c(Cl)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nccc3n2)c(F)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3c2)c(F)c1.OC[C@H](O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)nncc3c2)c(F)c1.OC[C@H](O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(Cl)c1.OC[C@H](O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cc4)nccc3c2)c(F)c1.
What is the InChIKey of bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane?
The InChIKey is NAVPPVCEWDELOZ-YIDMUUIKSA-N. The full InChI is InChI=1S/2C23H17ClF3N3O2.3C22H16ClF3N4O2.4C22H16F4N4O2.2CH4/c2*24-19-10-15(20(32)12-31)11-29-21(19)14-1-6-18-13(9-14)7-8-28-22(18)30-17-4-2-16(3-5-17)23(25,26)27;23-17-7-13(19(32)11-31)9-29-20(17)18-8-12-5-6-27-21(16(12)10-28-18)30-15-3-1-14(2-4-15)22(24,25)26;23-17-8-13(18(32)11-31)9-28-19(17)14-7-12-5-6-27-21(20(12)29-10-14)30-16-3-1-15(2-4-16)22(24,25)26;23-16-9-12(19(32)11-31)10-28-20(16)18-6-5-15-17(30-18)7-8-27-21(15)29-14-3-1-13(2-4-14)22(24,25)26;23-17-7-13(19(32)10-31)9-27-20(17)12-1-6-16-18(8-12)28-11-29-21(16)30-15-4-2-14(3-5-15)22(24,25)26;23-18-8-14(19(32)11-31)9-27-20(18)12-1-6-17-13(7-12)10-28-30-21(17)29-16-4-2-15(3-5-16)22(24,25)26;23-17-8-13(18(32)11-31)9-28-19(17)14-7-12-5-6-27-21(20(12)29-10-14)30-16-3-1-15(2-4-16)22(24,25)26;23-16-9-12(19(32)11-31)10-28-20(16)18-6-5-15-17(30-18)7-8-27-21(15)29-14-3-1-13(2-4-14)22(24,25)26;;/h2*1-11,20,31-32H,12H2,(H,28,30);1-10,19,31-32H,11H2,(H,27,30);1-10,18,31-32H,11H2,(H,27,30);1-10,19,31-32H,11H2,(H,27,29);1-9,11,19,31-32H,10H2,(H,28,29,30);1-10,19,31-32H,11H2,(H,29,30);1-10,18,31-32H,11H2,(H,27,30);1-10,19,31-32H,11H2,(H,27,29);2*1H4/t2*20-;19-;18-;3*19-;18-;19-;;/m000000000../s1.
What are the key properties of bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane?
bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane has a molecular weight of 4111.88 g/mol, XLogP of 46.62, 45 rotatable bonds, 27 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1R)-1-[5-chloro-6-[1-[4-(trifluoromethyl)anilino]isoquinolin-6-yl]-3-pyridinyl]ethane-1,2-diol);(1R)-1-[5-chloro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-chloro-6-[8-[4-(trifluoromethyl)anilino]-2,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[5-[4-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[8-[4-(trifluoromethyl)anilino]-1,7-naphthyridin-3-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]-3-pyridinyl]ethane-1,2-diol;(1R)-1-[5-fluoro-6-[4-[4-(trifluoromethyl)anilino]quinazolin-7-yl]-3-pyridinyl]ethane-1,2-diol;methane is sourced from PubChem (CID 159727750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).