4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C26H22N6O3 — CID 57394914

IUPAC4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCCn1cc(-c2ccnc3[nH]c(C(=O)O)cc23)c(-c2cccc(NC(=O)Nc3ccccc3)c2)n1
InChIInChI=1S/C26H22N6O3/c1-2-32-15-21(19-11-12-27-24-20(19)14-22(30-24)25(33)34)23(31-32)16-7-6-10-18(13-16)29-26(35)28-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H,27,30)(H,33,34)(H2,28,29,35)
InChIKeySZODMJYILAJCRL-UHFFFAOYSA-N
MW466.50 g/mol
LogP5.46
Rot. Bonds6

About 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 57394914) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID57394914
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC Name4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESCCn1cc(-c2ccnc3[nH]c(C(=O)O)cc23)c(-c2cccc(NC(=O)Nc3ccccc3)c2)n1
InChIInChI=1S/C26H22N6O3/c1-2-32-15-21(19-11-12-27-24-20(19)14-22(30-24)25(33)34)23(31-32)16-7-6-10-18(13-16)29-26(35)28-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H,27,30)(H,33,34)(H2,28,29,35)
InChIKeySZODMJYILAJCRL-UHFFFAOYSA-N
XLogP5.46
TPSA124.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 55.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid 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 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 57394914) is 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is CCn1cc(-c2ccnc3[nH]c(C(=O)O)cc23)c(-c2cccc(NC(=O)Nc3ccccc3)c2)n1.
What is the InChIKey of 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is SZODMJYILAJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-2-32-15-21(19-11-12-27-24-20(19)14-22(30-24)25(33)34)23(31-32)16-7-6-10-18(13-16)29-26(35)28-17-8-4-3-5-9-17/h3-15H,2H2,1H3,(H,27,30)(H,33,34)(H2,28,29,35).
What are the key properties of 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 466.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 57394914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).