methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate

C17H15N3O3 — CID 43048612

IUPACmethyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C17H15N3O3/c1-10-6-7-11(17(22)23-2)8-14(10)19-16(21)13-5-3-4-12-9-18-20-15(12)13/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyIBZPZGRSDGDNKK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.91
Rot. Bonds3

About methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate

methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate (PubChem CID 43048612) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
PubChem CID43048612
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C17H15N3O3/c1-10-6-7-11(17(22)23-2)8-14(10)19-16(21)13-5-3-4-12-9-18-20-15(12)13/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyIBZPZGRSDGDNKK-UHFFFAOYSA-N
XLogP2.91
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate 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

methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
N-(3,5-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36765506
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057679
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63998429
methyl 4-methyl-3-[(2-nitrobenzoyl)amino]benzoate
CID 7748739
methyl 4-methyl-3-[(2-propan-2-ylsulfanylbenzoyl)amino]benzoate
CID 9173341
methyl 4-chloro-3-(1H-indole-7-carbonylamino)benzoate
CID 110861824
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate?
The IUPAC name of methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate (CID 43048612) is methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate?
The canonical SMILES for methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2cccc3cn[nH]c23)c1.
What is the InChIKey of methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate?
The InChIKey is IBZPZGRSDGDNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-6-7-11(17(22)23-2)8-14(10)19-16(21)13-5-3-4-12-9-18-20-15(12)13/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate?
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate has a molecular weight of 309.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 43048612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).