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

C20H14N2O2 — CID 11953130

IUPAC3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
SMILESC1=CC=C(C=C1)C2=CC3=C(NC=C3C4=CC(=CC=C4)C(=O)O)N=C2
InChIInChI=1S/C20H14N2O2/c23-20(24)15-8-4-7-14(9-15)18-12-22-19-17(18)10-16(11-21-19)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
InChIKeyRKDPUWAQGCNFQQ-UHFFFAOYSA-N
MW314.30 g/mol
LogP4.10
Rot. Bonds3

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

3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid (PubChem CID 11953130) has the molecular formula C20H14N2O2 and a molecular weight of 314.30 g/mol. Its IUPAC name is 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
PubChem CID11953130
Molecular FormulaC20H14N2O2
Molecular Weight314.30 g/mol
Exact Mass314.11
IUPAC Name3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
SMILESC1=CC=C(C=C1)C2=CC3=C(NC=C3C4=CC(=CC=C4)C(=O)O)N=C2
InChIInChI=1S/C20H14N2O2/c23-20(24)15-8-4-7-14(9-15)18-12-22-19-17(18)10-16(11-21-19)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
InChIKeyRKDPUWAQGCNFQQ-UHFFFAOYSA-N
XLogP4.10
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity449

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk-650394
CID 25022668
3-({7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzoic acid
CID 23646627
4-{5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}benzoic acid
CID 11544170
(4-(5-naphthalen-2-yl-1H-pyrrolo(2,3-b)pyridin-3-yl)phenyl)acetic acid
CID 11952989
1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 10154191
2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45270042
3-cyclohexyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072894
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
4-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11953233
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 11953235
4-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 44529741
2-fluoro-4-[5-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 44529748

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
The IUPAC name of 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid (CID 11953130) is 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
The canonical SMILES for 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid is C1=CC=C(C=C1)C2=CC3=C(NC=C3C4=CC(=CC=C4)C(=O)O)N=C2.
What is the InChIKey of 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
The InChIKey is RKDPUWAQGCNFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)15-8-4-7-14(9-15)18-12-22-19-17(18)10-16(11-21-19)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid?
3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid has a molecular weight of 314.30 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 11953130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).