ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate

C22H22N4O2 — CID 118627940

IUPACethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(-c3cccc4c(C)c[nH]c34)n2)c1CC
InChIInChI=1S/C22H22N4O2/c1-4-19-17(22(27)28-5-2)13-24-26(19)20-11-7-10-18(25-20)16-9-6-8-15-14(3)12-23-21(15)16/h6-13,23H,4-5H2,1-3H3
InChIKeyRWUWPTOBELWEKL-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.46
Rot. Bonds5

About ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate

ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 118627940) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID118627940
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Nameethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(-c3cccc4c(C)c[nH]c34)n2)c1CC
InChIInChI=1S/C22H22N4O2/c1-4-19-17(22(27)28-5-2)13-24-26(19)20-11-7-10-18(25-20)16-9-6-8-15-14(3)12-23-21(15)16/h6-13,23H,4-5H2,1-3H3
InChIKeyRWUWPTOBELWEKL-UHFFFAOYSA-N
XLogP4.46
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-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 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate (CID 118627940) is ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc(-c3cccc4c(C)c[nH]c34)n2)c1CC.
What is the InChIKey of ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is RWUWPTOBELWEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-19-17(22(27)28-5-2)13-24-26(19)20-11-7-10-18(25-20)16-9-6-8-15-14(3)12-23-21(15)16/h6-13,23H,4-5H2,1-3H3.
What are the key properties of ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-1-[6-(3-methyl-1H-indol-7-yl)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 118627940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).