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

C191H138Cl3F20N41O8S8 — CID 160969644

IUPACN-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4CC)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4CC)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-c2cnn(-c3cnc(CNC(=O)c4sccc4CC)c(F)c3)c2)cc1Cl.[C-]#[N+]c1ncc(-c2ccn(Cc3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2cnn(-c3ccc(CNC(=O)c4sccc4CC)c(F)c3)c2)cc1C(F)(F)F.[C-]#[N+]c1ncc(-c2cnn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C25H17F4N5OS.C25H18F4N4OS.C24H17ClFN5OS.C24H16F4N6OS.C24H17F4N5OS.2C23H17ClFN5OS.C23H19FN6OS/c1-30-21-7-5-15(10-18(21)25(27,28)29)20-8-9-34(33-20)17-6-4-16(19(26)11-17)12-31-24(35)23-22(14-2-3-14)32-13-36-23;1-3-15-9-11-35-23(15)24(34)31-14-17-4-6-18(13-20(17)26)33-10-8-21(32-33)16-5-7-22(30-2)19(12-16)25(27,28)29;1-27-21-7-5-15(10-18(21)25)20-8-9-31(30-20)17-6-4-16(19(26)11-17)12-28-24(32)23-22(14-2-3-14)29-13-33-23;1-29-22-18(24(26,27)28)6-15(9-30-22)16-10-33-34(11-16)17-5-4-14(19(25)7-17)8-31-23(35)21-20(13-2-3-13)32-12-36-21;1-3-14-6-7-35-21(14)23(34)31-10-15-4-5-18(9-20(15)25)33-13-17(12-32-33)16-8-19(24(26,27)28)22(29-2)30-11-16;1-3-14-7-9-32-22(14)23(31)28-13-21-18(25)11-16(12-27-21)30-8-6-19(29-30)15-4-5-20(26-2)17(24)10-15;1-3-14-6-7-32-22(14)23(31)28-12-21-19(25)9-17(11-27-21)30-13-16(10-29-30)15-4-5-20(26-2)18(24)8-15;1-14-5-7-32-21(14)23(31)28-12-20-18(24)9-16(10-26-20)13-30-6-4-19(29-30)17-8-15(2)22(25-3)27-11-17/h4-11,13-14H,2-3,12H2,(H,31,35);4-13H,3,14H2,1H3,(H,31,34);4-11,13-14H,2-3,12H2,(H,28,32);4-7,9-13H,2-3,8H2,(H,31,35);4-9,11-13H,3,10H2,1H3,(H,31,34);4-12H,3,13H2,1H3,(H,28,31);4-11,13H,3,12H2,1H3,(H,28,31);4-11H,12-13H2,1-2H3,(H,28,31)
InChIKeySYBWSZLRECGCAE-UHFFFAOYSA-N
MW3878.34 g/mol
LogP47.91
Rot. Bonds48

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

N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 160969644) has the molecular formula C191H138Cl3F20N41O8S8 and a molecular weight of 3878.34 g/mol. Its IUPAC name is N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID160969644
Molecular FormulaC191H138Cl3F20N41O8S8
Molecular Weight3878.34 g/mol
Exact Mass3873.82
IUPAC NameN-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4CC)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4CC)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-c2cnn(-c3cnc(CNC(=O)c4sccc4CC)c(F)c3)c2)cc1Cl.[C-]#[N+]c1ncc(-c2ccn(Cc3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2cnn(-c3ccc(CNC(=O)c4sccc4CC)c(F)c3)c2)cc1C(F)(F)F.[C-]#[N+]c1ncc(-c2cnn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C25H17F4N5OS.C25H18F4N4OS.C24H17ClFN5OS.C24H16F4N6OS.C24H17F4N5OS.2C23H17ClFN5OS.C23H19FN6OS/c1-30-21-7-5-15(10-18(21)25(27,28)29)20-8-9-34(33-20)17-6-4-16(19(26)11-17)12-31-24(35)23-22(14-2-3-14)32-13-36-23;1-3-15-9-11-35-23(15)24(34)31-14-17-4-6-18(13-20(17)26)33-10-8-21(32-33)16-5-7-22(30-2)19(12-16)25(27,28)29;1-27-21-7-5-15(10-18(21)25)20-8-9-31(30-20)17-6-4-16(19(26)11-17)12-28-24(32)23-22(14-2-3-14)29-13-33-23;1-29-22-18(24(26,27)28)6-15(9-30-22)16-10-33-34(11-16)17-5-4-14(19(25)7-17)8-31-23(35)21-20(13-2-3-13)32-12-36-21;1-3-14-6-7-35-21(14)23(34)31-10-15-4-5-18(9-20(15)25)33-13-17(12-32-33)16-8-19(24(26,27)28)22(29-2)30-11-16;1-3-14-7-9-32-22(14)23(31)28-13-21-18(25)11-16(12-27-21)30-8-6-19(29-30)15-4-5-20(26-2)17(24)10-15;1-3-14-6-7-32-22(14)23(31)28-12-21-19(25)9-17(11-27-21)30-13-16(10-29-30)15-4-5-20(26-2)18(24)8-15;1-14-5-7-32-21(14)23(31)28-12-20-18(24)9-16(10-26-20)13-30-6-4-19(29-30)17-8-15(2)22(25-3)27-11-17/h4-11,13-14H,2-3,12H2,(H,31,35);4-13H,3,14H2,1H3,(H,31,34);4-11,13-14H,2-3,12H2,(H,28,32);4-7,9-13H,2-3,8H2,(H,31,35);4-9,11-13H,3,10H2,1H3,(H,31,34);4-12H,3,13H2,1H3,(H,28,31);4-11,13H,3,12H2,1H3,(H,28,31);4-11H,12-13H2,1-2H3,(H,28,31)
InChIKeySYBWSZLRECGCAE-UHFFFAOYSA-N
XLogP47.91
TPSA526.25 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds48
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003878.34
LogP ≤ 547.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Analyze N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]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]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide (CID 160969644) is N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide is [C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4CC)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)n2)cc1C(F)(F)F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4CC)c(F)c3)n2)cc1Cl.[C-]#[N+]c1ccc(-c2cnn(-c3cnc(CNC(=O)c4sccc4CC)c(F)c3)c2)cc1Cl.[C-]#[N+]c1ncc(-c2ccn(Cc3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2cnn(-c3ccc(CNC(=O)c4sccc4CC)c(F)c3)c2)cc1C(F)(F)F.[C-]#[N+]c1ncc(-c2cnn(-c3ccc(CNC(=O)c4scnc4C4CC4)c(F)c3)c2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is SYBWSZLRECGCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F4N5OS.C25H18F4N4OS.C24H17ClFN5OS.C24H16F4N6OS.C24H17F4N5OS.2C23H17ClFN5OS.C23H19FN6OS/c1-30-21-7-5-15(10-18(21)25(27,28)29)20-8-9-34(33-20)17-6-4-16(19(26)11-17)12-31-24(35)23-22(14-2-3-14)32-13-36-23;1-3-15-9-11-35-23(15)24(34)31-14-17-4-6-18(13-20(17)26)33-10-8-21(32-33)16-5-7-22(30-2)19(12-16)25(27,28)29;1-27-21-7-5-15(10-18(21)25)20-8-9-31(30-20)17-6-4-16(19(26)11-17)12-28-24(32)23-22(14-2-3-14)29-13-33-23;1-29-22-18(24(26,27)28)6-15(9-30-22)16-10-33-34(11-16)17-5-4-14(19(25)7-17)8-31-23(35)21-20(13-2-3-13)32-12-36-21;1-3-14-6-7-35-21(14)23(34)31-10-15-4-5-18(9-20(15)25)33-13-17(12-32-33)16-8-19(24(26,27)28)22(29-2)30-11-16;1-3-14-7-9-32-22(14)23(31)28-13-21-18(25)11-16(12-27-21)30-8-6-19(29-30)15-4-5-20(26-2)17(24)10-15;1-3-14-6-7-32-22(14)23(31)28-12-21-19(25)9-17(11-27-21)30-13-16(10-29-30)15-4-5-20(26-2)18(24)8-15;1-14-5-7-32-21(14)23(31)28-12-20-18(24)9-16(10-26-20)13-30-6-4-19(29-30)17-8-15(2)22(25-3)27-11-17/h4-11,13-14H,2-3,12H2,(H,31,35);4-13H,3,14H2,1H3,(H,31,34);4-11,13-14H,2-3,12H2,(H,28,32);4-7,9-13H,2-3,8H2,(H,31,35);4-9,11-13H,3,10H2,1H3,(H,31,34);4-12H,3,13H2,1H3,(H,28,31);4-11,13H,3,12H2,1H3,(H,28,31);4-11H,12-13H2,1-2H3,(H,28,31).
What are the key properties of N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide?
N-[[4-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-2-fluorophenyl]methyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 3878.34 g/mol, XLogP of 47.91, 48 rotatable bonds, 8 hydrogen bond donors, and 41 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]-4-cyclopropyl-1,3-thiazole-5-carboxamide;N-[[5-[3-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;N-[[5-[4-(3-chloro-4-isocyanophenyl)pyrazol-1-yl]-3-fluoro-2-pyridinyl]methyl]-3-ethylthiophene-2-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;4-cyclopropyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;3-ethyl-N-[[2-fluoro-4-[3-[4-isocyano-3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;3-ethyl-N-[[2-fluoro-4-[4-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]phenyl]methyl]thiophene-2-carboxamide;N-[[3-fluoro-5-[[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]methyl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 160969644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).