3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C30H22N4O2 — CID 58837365

IUPAC3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1
InChIInChI=1S/C30H22N4O2/c35-29(36)21-16-26-27(19-32-28(26)31-17-21)22-18-33-34(20-22)30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,(H,31,32)(H,35,36)
InChIKeyQFHUNIITBMRIJY-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.96
Rot. Bonds6

About 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 58837365) has the molecular formula C30H22N4O2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID58837365
Molecular FormulaC30H22N4O2
Molecular Weight470.53 g/mol
Exact Mass470.17
IUPAC Name3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1
InChIInChI=1S/C30H22N4O2/c35-29(36)21-16-26-27(19-32-28(26)31-17-21)22-18-33-34(20-22)30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,(H,31,32)(H,35,36)
InChIKeyQFHUNIITBMRIJY-UHFFFAOYSA-N
XLogP5.96
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-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 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 58837365) is 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1.
What is the InChIKey of 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is QFHUNIITBMRIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2/c35-29(36)21-16-26-27(19-32-28(26)31-17-21)22-18-33-34(20-22)30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-20H,(H,31,32)(H,35,36).
What are the key properties of 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 470.53 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 58837365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).