2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid

C162H103F29N20O20 — CID 160981249

IUPAC2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESN#Cc1cc(F)c(COc2cccc(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4Cc4ncco4)cc3F)n2)cc1F.N#Cc1ccc(COc2ccc(F)c(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4CC45COC(C4)C5)cc3F)n2)c(F)c1.N#Cc1ccc(COc2nc(-c3ccc(Cc4nc5c(F)cc(C(=O)O)cc5n4C[C@@H]4CCO4)cc3F)ccc2F)c(F)c1.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5F)n4)cc3F)n(Cc3ncco3)c2c1.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4nc(OCc5ccc(C(F)(F)F)cc5F)ccc4F)cc3F)n(C[C@@H]3CCO3)c2c1
InChIInChI=1S/C34H23F5N4O4.C32H21F8N3O4.C32H19F7N4O4.C32H18F5N5O4.C32H22F4N4O4/c35-23-3-4-30(46-14-18-2-1-17(13-40)5-24(18)36)42-31(23)22-10-25(37)19(6-26(22)38)9-29-41-32-27(39)7-20(33(44)45)8-28(32)43(29)15-34-11-21(12-34)47-16-34;33-21-3-4-28(47-14-15-1-2-18(11-22(15)34)32(38,39)40)42-29(21)20-12-23(35)16(7-24(20)36)10-27-41-30-25(37)8-17(31(44)45)9-26(30)43(27)13-19-5-6-46-19;33-21-12-19(32(37,38)39)5-4-16(21)15-47-28-3-1-2-25(41-28)20-13-22(34)17(8-23(20)35)11-27-42-30-24(36)9-18(31(44)45)10-26(30)43(27)14-29-40-6-7-46-29;33-21-9-19(22(34)8-18(21)13-38)15-46-29-3-1-2-26(40-29)20-12-23(35)16(6-24(20)36)11-28-41-31-25(37)7-17(32(43)44)10-27(31)42(28)14-30-39-4-5-45-30;33-23-5-6-27(38-31(23)44-16-19-3-1-18(14-37)10-24(19)34)22-4-2-17(9-25(22)35)11-29-39-30-26(36)12-20(32(41)42)13-28(30)40(29)15-21-7-8-43-21/h1-8,10,21H,9,11-12,14-16H2,(H,44,45);1-4,7-9,11-12,19H,5-6,10,13-14H2,(H,44,45);1-10,12-13H,11,14-15H2,(H,44,45);1-10,12H,11,14-15H2,(H,43,44);1-6,9-10,12-13,21H,7-8,11,15-16H2,(H,41,42)/t;19-;;;21-/m.0..0/s1
InChIKeySZNUQYARWYIREN-JZIASJOMSA-N
MW3200.67 g/mol
LogP34.51
Rot. Bonds45

About 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid

2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 160981249) has the molecular formula C162H103F29N20O20 and a molecular weight of 3200.67 g/mol. Its IUPAC name is 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID160981249
Molecular FormulaC162H103F29N20O20
Molecular Weight3200.67 g/mol
Exact Mass3198.72
IUPAC Name2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESN#Cc1cc(F)c(COc2cccc(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4Cc4ncco4)cc3F)n2)cc1F.N#Cc1ccc(COc2ccc(F)c(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4CC45COC(C4)C5)cc3F)n2)c(F)c1.N#Cc1ccc(COc2nc(-c3ccc(Cc4nc5c(F)cc(C(=O)O)cc5n4C[C@@H]4CCO4)cc3F)ccc2F)c(F)c1.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5F)n4)cc3F)n(Cc3ncco3)c2c1.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4nc(OCc5ccc(C(F)(F)F)cc5F)ccc4F)cc3F)n(C[C@@H]3CCO3)c2c1
InChIInChI=1S/C34H23F5N4O4.C32H21F8N3O4.C32H19F7N4O4.C32H18F5N5O4.C32H22F4N4O4/c35-23-3-4-30(46-14-18-2-1-17(13-40)5-24(18)36)42-31(23)22-10-25(37)19(6-26(22)38)9-29-41-32-27(39)7-20(33(44)45)8-28(32)43(29)15-34-11-21(12-34)47-16-34;33-21-3-4-28(47-14-15-1-2-18(11-22(15)34)32(38,39)40)42-29(21)20-12-23(35)16(7-24(20)36)10-27-41-30-25(37)8-17(31(44)45)9-26(30)43(27)13-19-5-6-46-19;33-21-12-19(32(37,38)39)5-4-16(21)15-47-28-3-1-2-25(41-28)20-13-22(34)17(8-23(20)35)11-27-42-30-24(36)9-18(31(44)45)10-26(30)43(27)14-29-40-6-7-46-29;33-21-9-19(22(34)8-18(21)13-38)15-46-29-3-1-2-26(40-29)20-12-23(35)16(6-24(20)36)11-28-41-31-25(37)7-17(32(43)44)10-27(31)42(28)14-30-39-4-5-45-30;33-23-5-6-27(38-31(23)44-16-19-3-1-18(14-37)10-24(19)34)22-4-2-17(9-25(22)35)11-29-39-30-26(36)12-20(32(41)42)13-28(30)40(29)15-21-7-8-43-21/h1-8,10,21H,9,11-12,14-16H2,(H,44,45);1-4,7-9,11-12,19H,5-6,10,13-14H2,(H,44,45);1-10,12-13H,11,14-15H2,(H,44,45);1-10,12H,11,14-15H2,(H,43,44);1-6,9-10,12-13,21H,7-8,11,15-16H2,(H,41,42)/t;19-;;;21-/m.0..0/s1
InChIKeySZNUQYARWYIREN-JZIASJOMSA-N
XLogP34.51
TPSA537.32 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003200.67
LogP ≤ 534.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 155190764
2-[[4-[6-[(5-cyano-2-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-methoxy-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 174246406
2-[[4-[6-[[5-(difluoromethyl)-1,3-thiazol-2-yl]methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 166087893
2-[[2,5-difluoro-4-[3-fluoro-6-[(6-methyl-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 156731526
2-[[4-[6-[(6-carbamoyl-4-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 166087706
2-[[4-[6-[(6-carbamoyl-4-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 175524329
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid
CID 164544868
2-[[4-[[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]oxy]piperidin-1-yl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 170938627
methyl 2-[[4-[2-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-4-yl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 159306436
2-[[2,5-difluoro-4-[6-[[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 166088390
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]thieno[2,3-d]imidazole-5-carboxylate
CID 164544871
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-5-methyl-6-oxopyridazin-1-yl]methyl]-7-methyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 175246821

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 160981249) is 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid is N#Cc1cc(F)c(COc2cccc(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4Cc4ncco4)cc3F)n2)cc1F.N#Cc1ccc(COc2ccc(F)c(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4CC45COC(C4)C5)cc3F)n2)c(F)c1.N#Cc1ccc(COc2nc(-c3ccc(Cc4nc5c(F)cc(C(=O)O)cc5n4C[C@@H]4CCO4)cc3F)ccc2F)c(F)c1.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(C(F)(F)F)cc5F)n4)cc3F)n(Cc3ncco3)c2c1.O=C(O)c1cc(F)c2nc(Cc3cc(F)c(-c4nc(OCc5ccc(C(F)(F)F)cc5F)ccc4F)cc3F)n(C[C@@H]3CCO3)c2c1.
What is the InChIKey of 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is SZNUQYARWYIREN-JZIASJOMSA-N. The full InChI is InChI=1S/C34H23F5N4O4.C32H21F8N3O4.C32H19F7N4O4.C32H18F5N5O4.C32H22F4N4O4/c35-23-3-4-30(46-14-18-2-1-17(13-40)5-24(18)36)42-31(23)22-10-25(37)19(6-26(22)38)9-29-41-32-27(39)7-20(33(44)45)8-28(32)43(29)15-34-11-21(12-34)47-16-34;33-21-3-4-28(47-14-15-1-2-18(11-22(15)34)32(38,39)40)42-29(21)20-12-23(35)16(7-24(20)36)10-27-41-30-25(37)8-17(31(44)45)9-26(30)43(27)13-19-5-6-46-19;33-21-12-19(32(37,38)39)5-4-16(21)15-47-28-3-1-2-25(41-28)20-13-22(34)17(8-23(20)35)11-27-42-30-24(36)9-18(31(44)45)10-26(30)43(27)14-29-40-6-7-46-29;33-21-9-19(22(34)8-18(21)13-38)15-46-29-3-1-2-26(40-29)20-12-23(35)16(6-24(20)36)11-28-41-31-25(37)7-17(32(43)44)10-27(31)42(28)14-30-39-4-5-45-30;33-23-5-6-27(38-31(23)44-16-19-3-1-18(14-37)10-24(19)34)22-4-2-17(9-25(22)35)11-29-39-30-26(36)12-20(32(41)42)13-28(30)40(29)15-21-7-8-43-21/h1-8,10,21H,9,11-12,14-16H2,(H,44,45);1-4,7-9,11-12,19H,5-6,10,13-14H2,(H,44,45);1-10,12-13H,11,14-15H2,(H,44,45);1-10,12H,11,14-15H2,(H,43,44);1-6,9-10,12-13,21H,7-8,11,15-16H2,(H,41,42)/t;19-;;;21-/m.0..0/s1.
What are the key properties of 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid?
2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 3200.67 g/mol, XLogP of 34.51, 45 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-[(4-cyano-2,5-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]-2,5-difluorophenyl]methyl]-7-fluoro-3-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-3-fluorophenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[3-fluoro-6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-7-fluoro-3-(1,3-oxazol-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 160981249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).