N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide

C164H124Cl2F22N38O11S7 — CID 157065412

IUPACN-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)cn2)cc1Cl.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)cn2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)cn2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-n2nc(C)c(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)c2C)cc1C(F)(F)F.[C-]#[N+]c1ncc(-n2cc(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C25H22F4N6O2S.C25H17F4N5OS.C23H16ClFN4OS.2C23H18F4N6O2S.C23H15F4N5OS.C22H18ClFN6O2S/c1-14-23(13-34(5)32-14)38(36,37)31-12-18-7-6-17(10-21(18)26)24-15(2)33-35(16(24)3)19-8-9-22(30-4)20(11-19)25(27,28)29;1-30-21-7-6-18(9-19(21)25(27,28)29)34-12-17(11-33-34)15-4-5-16(20(26)8-15)10-31-24(35)23-22(14-2-3-14)32-13-36-23;1-14-7-8-31-22(14)23(30)27-11-16-4-3-15(9-20(16)25)17-12-28-29(13-17)18-5-6-21(26-2)19(24)10-18;1-14-22(13-32(3)30-14)36(34,35)29-12-16-4-6-17(11-19(16)24)33-9-8-20(31-33)15-5-7-21(28-2)18(10-15)23(25,26)27;1-14-22(13-32(3)31-14)36(34,35)30-11-16-5-4-15(8-20(16)24)17-10-29-33(12-17)18-6-7-21(28-2)19(9-18)23(25,26)27;1-13-5-6-34-20(13)22(33)30-9-15-4-3-14(7-19(15)24)16-10-31-32(12-16)17-8-18(23(25,26)27)21(28-2)29-11-17;1-14-22(13-29(3)27-14)33(31,32)26-12-16-4-6-17(11-19(16)24)30-9-8-20(28-30)15-5-7-21(25-2)18(23)10-15/h6-11,13,31H,12H2,1-3,5H3;4-9,11-14H,2-3,10H2,(H,31,35);3-10,12-13H,11H2,1H3,(H,27,30);4-11,13,29H,12H2,1,3H3;4-10,12-13,30H,11H2,1,3H3;3-8,10-12H,9H2,1H3,(H,30,33);4-11,13,26H,12H2,1,3H3
InChIKeyABUZKRYEJOFOQN-UHFFFAOYSA-N
MW3516.38 g/mol
LogP37.96
Rot. Bonds40

About N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide

N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 157065412) has the molecular formula C164H124Cl2F22N38O11S7 and a molecular weight of 3516.38 g/mol. Its IUPAC name is N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID157065412
Molecular FormulaC164H124Cl2F22N38O11S7
Molecular Weight3516.38 g/mol
Exact Mass3512.74
IUPAC NameN-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)cn2)cc1Cl.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)cn2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)cn2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-n2nc(C)c(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)c2C)cc1C(F)(F)F.[C-]#[N+]c1ncc(-n2cc(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C25H22F4N6O2S.C25H17F4N5OS.C23H16ClFN4OS.2C23H18F4N6O2S.C23H15F4N5OS.C22H18ClFN6O2S/c1-14-23(13-34(5)32-14)38(36,37)31-12-18-7-6-17(10-21(18)26)24-15(2)33-35(16(24)3)19-8-9-22(30-4)20(11-19)25(27,28)29;1-30-21-7-6-18(9-19(21)25(27,28)29)34-12-17(11-33-34)15-4-5-16(20(26)8-15)10-31-24(35)23-22(14-2-3-14)32-13-36-23;1-14-7-8-31-22(14)23(30)27-11-16-4-3-15(9-20(16)25)17-12-28-29(13-17)18-5-6-21(26-2)19(24)10-18;1-14-22(13-32(3)30-14)36(34,35)29-12-16-4-6-17(11-19(16)24)33-9-8-20(31-33)15-5-7-21(28-2)18(10-15)23(25,26)27;1-14-22(13-32(3)31-14)36(34,35)30-11-16-5-4-15(8-20(16)24)17-10-29-33(12-17)18-6-7-21(28-2)19(9-18)23(25,26)27;1-13-5-6-34-20(13)22(33)30-9-15-4-3-14(7-19(15)24)16-10-31-32(12-16)17-8-18(23(25,26)27)21(28-2)29-11-17;1-14-22(13-29(3)27-14)33(31,32)26-12-16-4-6-17(11-19(16)24)30-9-8-20(28-30)15-5-7-21(25-2)18(23)10-15/h6-11,13,31H,12H2,1-3,5H3;4-9,11-14H,2-3,10H2,(H,31,35);3-10,12-13H,11H2,1H3,(H,27,30);4-11,13,29H,12H2,1,3H3;4-10,12-13,30H,11H2,1,3H3;3-8,10-12H,9H2,1H3,(H,30,33);4-11,13,26H,12H2,1,3H3
InChIKeyABUZKRYEJOFOQN-UHFFFAOYSA-N
XLogP37.96
TPSA524.30 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003516.38
LogP ≤ 537.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide (CID 157065412) is N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide is [C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)cn2)cc1Cl.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)cn2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-n2cc(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)cn2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-n2nc(C)c(-c3ccc(CNS(=O)(=O)c4cn(C)nc4C)c(F)c3)c2C)cc1C(F)(F)F.[C-]#[N+]c1ncc(-n2cc(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)cn2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is ABUZKRYEJOFOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O2S.C25H17F4N5OS.C23H16ClFN4OS.2C23H18F4N6O2S.C23H15F4N5OS.C22H18ClFN6O2S/c1-14-23(13-34(5)32-14)38(36,37)31-12-18-7-6-17(10-21(18)26)24-15(2)33-35(16(24)3)19-8-9-22(30-4)20(11-19)25(27,28)29;1-30-21-7-6-18(9-19(21)25(27,28)29)34-12-17(11-33-34)15-4-5-16(20(26)8-15)10-31-24(35)23-22(14-2-3-14)32-13-36-23;1-14-7-8-31-22(14)23(30)27-11-16-4-3-15(9-20(16)25)17-12-28-29(13-17)18-5-6-21(26-2)19(24)10-18;1-14-22(13-32(3)30-14)36(34,35)29-12-16-4-6-17(11-19(16)24)33-9-8-20(31-33)15-5-7-21(28-2)18(10-15)23(25,26)27;1-14-22(13-32(3)31-14)36(34,35)30-11-16-5-4-15(8-20(16)24)17-10-29-33(12-17)18-6-7-21(28-2)19(9-18)23(25,26)27;1-13-5-6-34-20(13)22(33)30-9-15-4-3-14(7-19(15)24)16-10-31-32(12-16)17-8-18(23(25,26)27)21(28-2)29-11-17;1-14-22(13-29(3)27-14)33(31,32)26-12-16-4-6-17(11-19(16)24)30-9-8-20(28-30)15-5-7-21(25-2)18(23)10-15/h6-11,13,31H,12H2,1-3,5H3;4-9,11-14H,2-3,10H2,(H,31,35);3-10,12-13H,11H2,1H3,(H,27,30);4-11,13,29H,12H2,1,3H3;4-10,12-13,30H,11H2,1,3H3;3-8,10-12H,9H2,1H3,(H,30,33);4-11,13,26H,12H2,1,3H3.
What are the key properties of N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide?
N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 3516.38 g/mol, XLogP of 37.96, 40 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[4-[1-(3-chloro-4-isocyanophenyl)pyrazol-4-yl]-2-fluorophenyl]methyl]-3-methylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-dimethylpyrazole-4-sulfonamide;N-[[2-fluoro-4-[1-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 157065412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).