N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide

C230H174F12N42O9S3 — CID 157207884

IUPACN-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)c(F)c3)c2C)cc1F.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)cc3)c2C)cc1C.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)cc3)c2C)cc1F.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4sccc4C)cc3)c2C)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F
InChIInChI=1S/C29H25N5O.C28H21F2N5O.C28H22FN5O.C28H23FN4OS.C24H18FN5O.C24H19FN4OS.2C23H15F2N5O.C23H16F2N4OS/c1-19-16-24(13-14-25(19)30-4)27-20(2)34(21(3)28(27)31-5)18-23-11-9-22(10-12-23)17-33-29(35)26-8-6-7-15-32-26;1-17-26(20-10-11-24(31-3)23(30)14-20)27(32-4)18(2)35(17)16-19-8-9-21(22(29)13-19)15-34-28(36)25-7-5-6-12-33-25;1-18-26(22-12-13-24(30-3)23(29)15-22)27(31-4)19(2)34(18)17-21-10-8-20(9-11-21)16-33-28(35)25-7-5-6-14-32-25;1-17-12-13-35-27(17)28(34)32-15-20-6-8-21(9-7-20)16-33-18(2)25(26(31-5)19(33)3)22-10-11-24(30-4)23(29)14-22;1-16-13-17(7-9-21(16)26-2)22-10-12-30(29-22)19-8-6-18(20(25)14-19)15-28-24(31)23-5-3-4-11-27-23;1-15-9-11-31-23(15)24(30)27-14-18-4-6-19(13-20(18)25)29-10-8-22(28-29)17-5-7-21(26-3)16(2)12-17;2*1-26-21-8-6-15(12-19(21)25)20-9-11-30(29-20)17-7-5-16(18(24)13-17)14-28-23(31)22-4-2-3-10-27-22;1-14-8-10-31-22(14)23(30)27-13-16-3-5-17(12-18(16)24)29-9-7-20(28-29)15-4-6-21(26-2)19(25)11-15/h6-16H,17-18H2,1-3H3,(H,33,35);5-14H,15-16H2,1-2H3,(H,34,36);5-15H,16-17H2,1-2H3,(H,33,35);6-14H,15-16H2,1-3H3,(H,32,34);3-14H,15H2,1H3,(H,28,31);4-13H,14H2,1-2H3,(H,27,30);2*2-13H,14H2,(H,28,31);3-12H,13H2,1H3,(H,27,30)
InChIKeyAROBCTOSUPEBEL-UHFFFAOYSA-N
MW3994.38 g/mol
LogP52.58
Rot. Bonds49

About N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide

N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 157207884) has the molecular formula C230H174F12N42O9S3 and a molecular weight of 3994.38 g/mol. Its IUPAC name is N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID157207884
Molecular FormulaC230H174F12N42O9S3
Molecular Weight3994.38 g/mol
Exact Mass3991.34
IUPAC NameN-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)c(F)c3)c2C)cc1F.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)cc3)c2C)cc1C.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)cc3)c2C)cc1F.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4sccc4C)cc3)c2C)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F
InChIInChI=1S/C29H25N5O.C28H21F2N5O.C28H22FN5O.C28H23FN4OS.C24H18FN5O.C24H19FN4OS.2C23H15F2N5O.C23H16F2N4OS/c1-19-16-24(13-14-25(19)30-4)27-20(2)34(21(3)28(27)31-5)18-23-11-9-22(10-12-23)17-33-29(35)26-8-6-7-15-32-26;1-17-26(20-10-11-24(31-3)23(30)14-20)27(32-4)18(2)35(17)16-19-8-9-21(22(29)13-19)15-34-28(36)25-7-5-6-12-33-25;1-18-26(22-12-13-24(30-3)23(29)15-22)27(31-4)19(2)34(18)17-21-10-8-20(9-11-21)16-33-28(35)25-7-5-6-14-32-25;1-17-12-13-35-27(17)28(34)32-15-20-6-8-21(9-7-20)16-33-18(2)25(26(31-5)19(33)3)22-10-11-24(30-4)23(29)14-22;1-16-13-17(7-9-21(16)26-2)22-10-12-30(29-22)19-8-6-18(20(25)14-19)15-28-24(31)23-5-3-4-11-27-23;1-15-9-11-31-23(15)24(30)27-14-18-4-6-19(13-20(18)25)29-10-8-22(28-29)17-5-7-21(26-3)16(2)12-17;2*1-26-21-8-6-15(12-19(21)25)20-9-11-30(29-20)17-7-5-16(18(24)13-17)14-28-23(31)22-4-2-3-10-27-22;1-14-8-10-31-22(14)23(30)27-13-16-3-5-17(12-18(16)24)29-9-7-20(28-29)15-4-6-21(26-2)19(25)11-15/h6-16H,17-18H2,1-3H3,(H,33,35);5-14H,15-16H2,1-2H3,(H,34,36);5-15H,16-17H2,1-2H3,(H,33,35);6-14H,15-16H2,1-3H3,(H,32,34);3-14H,15H2,1H3,(H,28,31);4-13H,14H2,1-2H3,(H,27,30);2*2-13H,14H2,(H,28,31);3-12H,13H2,1H3,(H,27,30)
InChIKeyAROBCTOSUPEBEL-UHFFFAOYSA-N
XLogP52.58
TPSA504.74 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds49
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003994.38
LogP ≤ 552.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

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CID 130248931
N-[4-[6-[1-benzyl-4-[6-[2-[(2-fluoro-6-methylphenyl)carbamoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]-2-pyridinyl]pyrazol-5-yl]-3-pyridinyl]-2-fluoro-6-methylphenyl]-6-[6-(2,5-dimethylpyrazol-3-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
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N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-[(5-fluoro-2-methylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 157148389
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide
CID 157217256
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-diethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
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CID 158597886
5-[2-[(1S)-1-[2-(3-acetylindazol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159008446
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(5-aminopentyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-piperidin-1-ylthiophene-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 159482670
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-diethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 159758870
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 159798628
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(5-aminopentyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N-ethyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 160045983

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide (CID 157207884) is N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide is [C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)c(F)c3)c2C)cc1F.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)cc3)c2C)cc1C.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4ccccn4)cc3)c2C)cc1F.[C-]#[N+]c1ccc(-c2c([N+]#[C-])c(C)n(Cc3ccc(CNC(=O)c4sccc4C)cc3)c2C)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is AROBCTOSUPEBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O.C28H21F2N5O.C28H22FN5O.C28H23FN4OS.C24H18FN5O.C24H19FN4OS.2C23H15F2N5O.C23H16F2N4OS/c1-19-16-24(13-14-25(19)30-4)27-20(2)34(21(3)28(27)31-5)18-23-11-9-22(10-12-23)17-33-29(35)26-8-6-7-15-32-26;1-17-26(20-10-11-24(31-3)23(30)14-20)27(32-4)18(2)35(17)16-19-8-9-21(22(29)13-19)15-34-28(36)25-7-5-6-12-33-25;1-18-26(22-12-13-24(30-3)23(29)15-22)27(31-4)19(2)34(18)17-21-10-8-20(9-11-21)16-33-28(35)25-7-5-6-14-32-25;1-17-12-13-35-27(17)28(34)32-15-20-6-8-21(9-7-20)16-33-18(2)25(26(31-5)19(33)3)22-10-11-24(30-4)23(29)14-22;1-16-13-17(7-9-21(16)26-2)22-10-12-30(29-22)19-8-6-18(20(25)14-19)15-28-24(31)23-5-3-4-11-27-23;1-15-9-11-31-23(15)24(30)27-14-18-4-6-19(13-20(18)25)29-10-8-22(28-29)17-5-7-21(26-3)16(2)12-17;2*1-26-21-8-6-15(12-19(21)25)20-9-11-30(29-20)17-7-5-16(18(24)13-17)14-28-23(31)22-4-2-3-10-27-22;1-14-8-10-31-22(14)23(30)27-13-16-3-5-17(12-18(16)24)29-9-7-20(28-29)15-4-6-21(26-2)19(25)11-15/h6-16H,17-18H2,1-3H3,(H,33,35);5-14H,15-16H2,1-2H3,(H,34,36);5-15H,16-17H2,1-2H3,(H,33,35);6-14H,15-16H2,1-3H3,(H,32,34);3-14H,15H2,1H3,(H,28,31);4-13H,14H2,1-2H3,(H,27,30);2*2-13H,14H2,(H,28,31);3-12H,13H2,1H3,(H,27,30).
What are the key properties of N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide?
N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 3994.38 g/mol, XLogP of 52.58, 49 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 157207884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).