(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide

C133H104Cl3F21N30O9S — CID 162220624

IUPAC(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
SMILESCC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.[H]/N=C(\NC(=O)C(/C=C\C=N\[H])=N/[H])c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N3O2.C20H16F3N5O.C19H16ClF3N6O.C19H13F3N4O2.C19H13F3N4OS.C18H16ClF3N4O.C17H14ClF3N4O/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23;20-13-9-27-10-15(16(13)17(26)29-18(30)14(25)2-1-7-24)28-8-11-3-5-12(6-4-11)19(21,22)23;20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;20-19(21,22)13-7-5-12(6-8-13)11-26-16-4-2-1-3-14(16)17(24-26)23-18(27)15-9-10-28-25-15;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21/h2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,24,26)(H,25,27,29);1-7,9-10,24-25,28H,8H2,(H2,26,29,30);1-9,11H,10H2,(H,24,25,27);1-10H,11H2,(H,23,24,27);3-8,10H,9H2,1-2H3,(H,24,25,27);3-8H,2,9H2,1H3,(H,23,24,26)/b;;2-1-,24-7+,25-14+;;;;
InChIKeyZUBMHOYANHEDRM-CTQGHSKSSA-N
MW2803.88 g/mol
LogP32.08
Rot. Bonds31

About (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide

(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide (PubChem CID 162220624) has the molecular formula C133H104Cl3F21N30O9S and a molecular weight of 2803.88 g/mol. Its IUPAC name is (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
PubChem CID162220624
Molecular FormulaC133H104Cl3F21N30O9S
Molecular Weight2803.88 g/mol
Exact Mass2800.71
IUPAC Name(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
SMILESCC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.[H]/N=C(\NC(=O)C(/C=C\C=N\[H])=N/[H])c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N3O2.C20H16F3N5O.C19H16ClF3N6O.C19H13F3N4O2.C19H13F3N4OS.C18H16ClF3N4O.C17H14ClF3N4O/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23;20-13-9-27-10-15(16(13)17(26)29-18(30)14(25)2-1-7-24)28-8-11-3-5-12(6-4-11)19(21,22)23;20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;20-19(21,22)13-7-5-12(6-8-13)11-26-16-4-2-1-3-14(16)17(24-26)23-18(27)15-9-10-28-25-15;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21/h2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,24,26)(H,25,27,29);1-7,9-10,24-25,28H,8H2,(H2,26,29,30);1-9,11H,10H2,(H,24,25,27);1-10H,11H2,(H,23,24,27);3-8,10H,9H2,1-2H3,(H,24,25,27);3-8H,2,9H2,1H3,(H,23,24,26)/b;;2-1-,24-7+,25-14+;;;;
InChIKeyZUBMHOYANHEDRM-CTQGHSKSSA-N
XLogP32.08
TPSA513.61 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002803.88
LogP ≤ 532.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide with MolForge

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Related Compounds

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[4-cyano-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 158514885
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 159181030
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
CID 159404761
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]pyridazine-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 160055005
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 161132782
N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 161255651
4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 161263129
1-benzyl-5-methyl-3-nitroindole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;5-methyl-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
CID 161437636

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
The IUPAC name of (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide (CID 162220624) is (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide is CC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.[H]/N=C(\NC(=O)C(/C=C\C=N\[H])=N/[H])c1c(Cl)cncc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
The InChIKey is ZUBMHOYANHEDRM-CTQGHSKSSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C20H16F3N5O.C19H16ClF3N6O.C19H13F3N4O2.C19H13F3N4OS.C18H16ClF3N4O.C17H14ClF3N4O/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23;20-13-9-27-10-15(16(13)17(26)29-18(30)14(25)2-1-7-24)28-8-11-3-5-12(6-4-11)19(21,22)23;20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;20-19(21,22)13-7-5-12(6-8-13)11-26-16-4-2-1-3-14(16)17(24-26)23-18(27)15-9-10-28-25-15;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-2-14(26)23-16-15-12(18)7-22-8-13(15)25(24-16)9-10-3-5-11(6-4-10)17(19,20)21/h2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,24,26)(H,25,27,29);1-7,9-10,24-25,28H,8H2,(H2,26,29,30);1-9,11H,10H2,(H,24,25,27);1-10H,11H2,(H,23,24,27);3-8,10H,9H2,1-2H3,(H,24,25,27);3-8H,2,9H2,1H3,(H,23,24,26)/b;;2-1-,24-7+,25-14+;;;;.
What are the key properties of (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
(Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide has a molecular weight of 2803.88 g/mol, XLogP of 32.08, 31 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-chloro-5-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboximidoyl]-2,5-diiminopent-3-enamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]propanamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 162220624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).