1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide

C77H64F3N13O4 — CID 159602066

IUPAC1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCc1ccc(Cn2nc(N)c3ccccc32)cc1.Cc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1ccccc1)c1nn(Cc2ccccc2)c2ccccc12.O=C(Nc1ccccn1)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H16F3N3O2.C21H17N3O.C20H16N4O.C15H15N3/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;25-21(22-17-11-5-2-6-12-17)20-18-13-7-8-14-19(18)24(23-20)15-16-9-3-1-4-10-16;25-20(22-18-12-6-7-13-21-18)19-16-10-4-5-11-17(16)24(23-19)14-15-8-2-1-3-9-15;1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17-18/h2-11H,12H2,1H3,(H,25,26,28);1-14H,15H2,(H,22,25);1-13H,14H2,(H,21,22,25);2-9H,10H2,1H3,(H2,16,17)
InChIKeyMLPIWEJYAHMUPZ-UHFFFAOYSA-N
MW1292.44 g/mol
LogP16.30
Rot. Bonds14

About 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide

1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (PubChem CID 159602066) has the molecular formula C77H64F3N13O4 and a molecular weight of 1292.44 g/mol. Its IUPAC name is 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
PubChem CID159602066
Molecular FormulaC77H64F3N13O4
Molecular Weight1292.44 g/mol
Exact Mass1291.52
IUPAC Name1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCc1ccc(Cn2nc(N)c3ccccc32)cc1.Cc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1ccccc1)c1nn(Cc2ccccc2)c2ccccc12.O=C(Nc1ccccn1)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H16F3N3O2.C21H17N3O.C20H16N4O.C15H15N3/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;25-21(22-17-11-5-2-6-12-17)20-18-13-7-8-14-19(18)24(23-20)15-16-9-3-1-4-10-16;25-20(22-18-12-6-7-13-21-18)19-16-10-4-5-11-17(16)24(23-19)14-15-8-2-1-3-9-15;1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17-18/h2-11H,12H2,1H3,(H,25,26,28);1-14H,15H2,(H,22,25);1-13H,14H2,(H,21,22,25);2-9H,10H2,1H3,(H2,16,17)
InChIKeyMLPIWEJYAHMUPZ-UHFFFAOYSA-N
XLogP16.30
TPSA210.63 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001292.44
LogP ≤ 516.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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Related Compounds

5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-methyl-benzyl)-1H-pyrazol-3-yl]-amide
CID 1165076
N-[2-[2-[[2-[4-[3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]propyl]phenoxy]acetyl]amino]ethylamino]ethyl]-6-[[2-[4-[(E)-2-[2,2-difluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]acetyl]amino]hexanamide
CID 54587624
5-(2-furyl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2944964
2-[3-[1-[6-(Furan-2-ylmethylamino)pyrimidin-4-yl]indazol-6-yl]-4-methylphenyl]-5-(trifluoromethyl)benzamide
CID 156366624
3-(2,4-dimethylimidazol-1-yl)-N-[3-[1-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]indazol-6-yl]-4-methylphenyl]-5-(trifluoromethyl)benzamide
CID 156739429
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 157055832
5-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
CID 157164593
1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole
CID 157300464
N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 158806404
[4-[(3-aminoindazol-1-yl)methyl]phenyl]methanol;4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;N-[1-[[4-(hydroxymethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1-benzofuran-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide
CID 160317840
bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
CID 160442567
5-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1-benzofuran-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide
CID 161548851

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The IUPAC name of 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (CID 159602066) is 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is Cc1ccc(Cn2nc(N)c3ccccc32)cc1.Cc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1ccccc1)c1nn(Cc2ccccc2)c2ccccc12.O=C(Nc1ccccn1)c1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The InChIKey is MLPIWEJYAHMUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C21H17N3O.C20H16N4O.C15H15N3/c1-13-10-11-29-18(13)20(28)25-19-16-4-2-3-5-17(16)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;25-21(22-17-11-5-2-6-12-17)20-18-13-7-8-14-19(18)24(23-20)15-16-9-3-1-4-10-16;25-20(22-18-12-6-7-13-21-18)19-16-10-4-5-11-17(16)24(23-19)14-15-8-2-1-3-9-15;1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17-18/h2-11H,12H2,1H3,(H,25,26,28);1-14H,15H2,(H,22,25);1-13H,14H2,(H,21,22,25);2-9H,10H2,1H3,(H2,16,17).
What are the key properties of 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide has a molecular weight of 1292.44 g/mol, XLogP of 16.30, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-pyridin-2-ylindazole-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 159602066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).