methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate

C11H11N3O4 — CID 168652236

IUPACmethyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(OC)ccc(NC=O)c12
InChIInChI=1S/C11H11N3O4/c1-17-7-4-3-6(12-5-15)8-9(7)13-14-10(8)11(16)18-2/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKeyQYJFJQKDLDXAKR-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.93
Rot. Bonds4

About methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate

methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate (PubChem CID 168652236) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate
PubChem CID168652236
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Namemethyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c(OC)ccc(NC=O)c12
InChIInChI=1S/C11H11N3O4/c1-17-7-4-3-6(12-5-15)8-9(7)13-14-10(8)11(16)18-2/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKeyQYJFJQKDLDXAKR-UHFFFAOYSA-N
XLogP0.93
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 4-formamido-7-methoxy-2H-indazole-3-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

methyl 7-methoxy-4-nitro-2H-indazole-3-carboxylate
CID 71811115
methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
CID 168527751
methyl 7-methoxy-4-pyrrolidin-1-yl-2H-indazole-3-carboxylate
CID 168514912
methyl 4-formamido-1H-indazole-3-carboxylate
CID 168652080
N-(8-methoxy-2-methylquinolin-5-yl)formamide
CID 168651038
methyl 4-hydroxy-8-oxo-5-propan-2-ylsulfanyl-2H-cyclohepta[c]pyrazole-3-carboxylate
CID 123812484
N-(5-formyl-2-methoxyphenyl)formamide
CID 168654093
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
N-(4-acetyl-2-methoxyphenyl)formamide
CID 145382079
N-(3-fluoro-2,4-dimethoxyphenyl)formamide
CID 168651681
N-[4-(dimethylamino)-2-methoxyphenyl]formamide
CID 168653974
methyl 4-formamido-3-hydroxybenzoate
CID 91622889

Frequently Asked Questions

What is the IUPAC name of methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate?
The IUPAC name of methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate (CID 168652236) is methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate.
What is the SMILES notation for methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate?
The canonical SMILES for methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate is COC(=O)c1[nH]nc2c(OC)ccc(NC=O)c12.
What is the InChIKey of methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate?
The InChIKey is QYJFJQKDLDXAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-7-4-3-6(12-5-15)8-9(7)13-14-10(8)11(16)18-2/h3-5H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate?
methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate has a molecular weight of 249.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formamido-7-methoxy-2H-indazole-3-carboxylate is sourced from PubChem (CID 168652236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).