methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate

C17H12F3N3O4 — CID 142438315

IUPACmethyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)n[nH]c2c1
InChIInChI=1S/C17H12F3N3O4/c1-26-16(25)10-4-7-12-13(8-10)22-23-14(12)21-15(24)9-2-5-11(6-3-9)27-17(18,19)20/h2-8H,1H3,(H2,21,22,23,24)
InChIKeyCHNGWHQAILUJQS-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.50
Rot. Bonds4

About methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate

methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate (PubChem CID 142438315) has the molecular formula C17H12F3N3O4 and a molecular weight of 379.29 g/mol. Its IUPAC name is methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate
PubChem CID142438315
Molecular FormulaC17H12F3N3O4
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC Namemethyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)n[nH]c2c1
InChIInChI=1S/C17H12F3N3O4/c1-26-16(25)10-4-7-12-13(8-10)22-23-14(12)21-15(24)9-2-5-11(6-3-9)27-17(18,19)20/h2-8H,1H3,(H2,21,22,23,24)
InChIKeyCHNGWHQAILUJQS-UHFFFAOYSA-N
XLogP3.50
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fgfr2-IN-1
CID 157049296
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid
CID 57342210
N-[6-(3-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162654484
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162658664
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162660618
N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162670414
N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162672531
4-[2-(dimethylamino)ethoxy]-N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137637875
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-3-methoxybenzamide
CID 137641094
N-[6-(2,6-difluoro-3-methoxyphenyl)-1H-indazol-3-yl]-4-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 137644932
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-4-methoxybenzamide
CID 137654300

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate?
The IUPAC name of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate (CID 142438315) is methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate is COC(=O)c1ccc2c(NC(=O)c3ccc(OC(F)(F)F)cc3)n[nH]c2c1.
What is the InChIKey of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate?
The InChIKey is CHNGWHQAILUJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O4/c1-26-16(25)10-4-7-12-13(8-10)22-23-14(12)21-15(24)9-2-5-11(6-3-9)27-17(18,19)20/h2-8H,1H3,(H2,21,22,23,24).
What are the key properties of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate?
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate has a molecular weight of 379.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]-1H-indazole-6-carboxylate is sourced from PubChem (CID 142438315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).