1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide

C169H126Br2Cl3F12N31O15 — CID 159323252

IUPAC1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.O=C(Nc1n[nH]c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncnc1.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C20H14F3N5O.C20H14F3N3O2.C19H15ClN4O2.C19H14ClN3O2.C19H15N3O2.C16H10BrF3N2O2.C15H11BrN2O2.C15H12F3N3.C14H12ClN3.C12H9N3O2/c21-20(22,23)15-7-5-13(6-8-15)11-28-17-4-2-1-3-16(17)18(27-28)26-19(29)14-9-24-12-25-10-14;21-20(22,23)16-7-3-1-5-13(16)11-26-17-8-4-2-6-15(17)18(25-26)24-19(27)14-9-10-28-12-14;1-12-16(11-26-23-12)19(25)21-18-15-4-2-3-5-17(15)24(22-18)10-13-6-8-14(20)9-7-13;20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14;23-19(15-10-11-24-13-15)20-18-16-8-4-5-9-17(16)22(21-18)12-14-6-2-1-3-7-14;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21;15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17-18;16-12(8-5-6-17-7-8)13-11-9-3-1-2-4-10(9)14-15-11/h1-10,12H,11H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);2-9,11H,10H2,1H3,(H,21,22,25);1-10,12H,11H2,(H,21,22,24);1-11,13H,12H2,(H,20,21,23);1-7,9H,8H2;1-8,10H,9H2;1-8H,9H2,(H2,19,20);1-8H,9H2,(H2,16,17);1-7H,(H2,13,14,15,16)
InChIKeyLEAMPHHEIJUQSH-UHFFFAOYSA-N
MW3325.21 g/mol
LogP41.05
Rot. Bonds32

About 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide

1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide (PubChem CID 159323252) has the molecular formula C169H126Br2Cl3F12N31O15 and a molecular weight of 3325.21 g/mol. Its IUPAC name is 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide
PubChem CID159323252
Molecular FormulaC169H126Br2Cl3F12N31O15
Molecular Weight3325.21 g/mol
Exact Mass3319.73
IUPAC Name1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.O=C(Nc1n[nH]c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncnc1.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C20H14F3N5O.C20H14F3N3O2.C19H15ClN4O2.C19H14ClN3O2.C19H15N3O2.C16H10BrF3N2O2.C15H11BrN2O2.C15H12F3N3.C14H12ClN3.C12H9N3O2/c21-20(22,23)15-7-5-13(6-8-15)11-28-17-4-2-1-3-16(17)18(27-28)26-19(29)14-9-24-12-25-10-14;21-20(22,23)16-7-3-1-5-13(16)11-26-17-8-4-2-6-15(17)18(25-26)24-19(27)14-9-10-28-12-14;1-12-16(11-26-23-12)19(25)21-18-15-4-2-3-5-17(15)24(22-18)10-13-6-8-14(20)9-7-13;20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14;23-19(15-10-11-24-13-15)20-18-16-8-4-5-9-17(16)22(21-18)12-14-6-2-1-3-7-14;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21;15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17-18;16-12(8-5-6-17-7-8)13-11-9-3-1-2-4-10(9)14-15-11/h1-10,12H,11H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);2-9,11H,10H2,1H3,(H,21,22,25);1-10,12H,11H2,(H,21,22,24);1-11,13H,12H2,(H,20,21,23);1-7,9H,8H2;1-8,10H,9H2;1-8H,9H2,(H2,19,20);1-8H,9H2,(H2,16,17);1-7H,(H2,13,14,15,16)
InChIKeyLEAMPHHEIJUQSH-UHFFFAOYSA-N
XLogP41.05
TPSA580.57 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds32
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003325.21
LogP ≤ 541.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 157871308
1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
CID 158570217
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[(2-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide;N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 159399072
N-(1-aminoindazol-3-yl)furan-3-carboxamide;1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 159610816
1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
CID 160492045
1-benzyl-5-bromo-3-nitroindole;6-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;4-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
CID 162021165
1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 162088298
N-[amino-[2-[(4-chlorophenyl)methylamino]phenyl]methylidene]furan-3-carboxamide;1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;N-[2-[(4-chlorophenyl)methylamino]benzenecarboximidoyl]-4-methyl-1,3-thiazole-5-carboxamide;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide
CID 163446653

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide (CID 159323252) is 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.O=C(Nc1n[nH]c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncnc1.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12.
What is the InChIKey of 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide?
The InChIKey is LEAMPHHEIJUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O.C20H14F3N3O2.C19H15ClN4O2.C19H14ClN3O2.C19H15N3O2.C16H10BrF3N2O2.C15H11BrN2O2.C15H12F3N3.C14H12ClN3.C12H9N3O2/c21-20(22,23)15-7-5-13(6-8-15)11-28-17-4-2-1-3-16(17)18(27-28)26-19(29)14-9-24-12-25-10-14;21-20(22,23)16-7-3-1-5-13(16)11-26-17-8-4-2-6-15(17)18(25-26)24-19(27)14-9-10-28-12-14;1-12-16(11-26-23-12)19(25)21-18-15-4-2-3-5-17(15)24(22-18)10-13-6-8-14(20)9-7-13;20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14;23-19(15-10-11-24-13-15)20-18-16-8-4-5-9-17(16)22(21-18)12-14-6-2-1-3-7-14;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21;15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17-18;16-12(8-5-6-17-7-8)13-11-9-3-1-2-4-10(9)14-15-11/h1-10,12H,11H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);2-9,11H,10H2,1H3,(H,21,22,25);1-10,12H,11H2,(H,21,22,24);1-11,13H,12H2,(H,20,21,23);1-7,9H,8H2;1-8,10H,9H2;1-8H,9H2,(H2,19,20);1-8H,9H2,(H2,16,17);1-7H,(H2,13,14,15,16).
What are the key properties of 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide?
1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide has a molecular weight of 3325.21 g/mol, XLogP of 41.05, 32 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;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]-3-methyl-1,2-oxazole-4-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 159323252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).