3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid

C21H15N3O3 — CID 90240502

IUPAC3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1
InChIInChI=1S/C21H15N3O3/c25-20(14-7-4-8-15(9-14)21(26)27)23-17-10-16-11-18(24-19(16)22-12-17)13-5-2-1-3-6-13/h1-12H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyRQZDJELBKRGQFV-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.18
Rot. Bonds4

About 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid

3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid (PubChem CID 90240502) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid
PubChem CID90240502
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1
InChIInChI=1S/C21H15N3O3/c25-20(14-7-4-8-15(9-14)21(26)27)23-17-10-16-11-18(24-19(16)22-12-17)13-5-2-1-3-6-13/h1-12H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyRQZDJELBKRGQFV-UHFFFAOYSA-N
XLogP4.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic 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-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid (CID 90240502) is 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1.
What is the InChIKey of 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid?
The InChIKey is RQZDJELBKRGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(14-7-4-8-15(9-14)21(26)27)23-17-10-16-11-18(24-19(16)22-12-17)13-5-2-1-3-6-13/h1-12H,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid?
3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid has a molecular weight of 357.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 90240502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).