methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate

C17H12N4O3 — CID 35372978

IUPACmethyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc12
InChIInChI=1S/C17H12N4O3/c1-24-17(23)15-13-8-12(6-7-14(13)20-21-15)19-16(22)11-4-2-10(9-18)3-5-11/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyWXXPKEJGKQCSMN-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.47
Rot. Bonds3

About methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate

methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate (PubChem CID 35372978) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
PubChem CID35372978
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Namemethyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc12
InChIInChI=1S/C17H12N4O3/c1-24-17(23)15-13-8-12(6-7-14(13)20-21-15)19-16(22)11-4-2-10(9-18)3-5-11/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyWXXPKEJGKQCSMN-UHFFFAOYSA-N
XLogP2.47
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(1,2,2-tricyanoethenylamino)-1H-indazole-3-carboxylate
CID 168609857
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 60905939
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
methyl 5-[(2-prop-2-enylsulfanylacetyl)amino]-1H-indazole-3-carboxylate
CID 51089012
methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748376
methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate
CID 86887480
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
N-(4-amino-3-bromophenyl)-4-cyanobenzamide
CID 82861639

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate?
The IUPAC name of methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate (CID 35372978) is methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc12.
What is the InChIKey of methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate?
The InChIKey is WXXPKEJGKQCSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-24-17(23)15-13-8-12(6-7-14(13)20-21-15)19-16(22)11-4-2-10(9-18)3-5-11/h2-8H,1H3,(H,19,22)(H,20,21).
What are the key properties of methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate?
methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate has a molecular weight of 320.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate is sourced from PubChem (CID 35372978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).