ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate

C16H13N3O3 — CID 56683508

IUPACethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C16H13N3O3/c1-2-22-16(21)14-12-5-3-4-6-13(12)19(18-14)15(20)11-7-9-17-10-8-11/h3-10H,2H2,1H3
InChIKeyBKKBMMYNOFRLEM-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.30
Rot. Bonds3

About ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate

ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate (PubChem CID 56683508) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate
PubChem CID56683508
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Nameethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C16H13N3O3/c1-2-22-16(21)14-12-5-3-4-6-13(12)19(18-14)15(20)11-7-9-17-10-8-11/h3-10H,2H2,1H3
InChIKeyBKKBMMYNOFRLEM-UHFFFAOYSA-N
XLogP2.30
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(pyridine-4-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate?
The IUPAC name of ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate (CID 56683508) is ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate is CCOC(=O)c1nn(C(=O)c2ccncc2)c2ccccc12.
What is the InChIKey of ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate?
The InChIKey is BKKBMMYNOFRLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-2-22-16(21)14-12-5-3-4-6-13(12)19(18-14)15(20)11-7-9-17-10-8-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate?
ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridine-4-carbonyl)indazole-3-carboxylate is sourced from PubChem (CID 56683508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).