2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid

C26H20N2O2 — CID 45273462

IUPAC2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C26H20N2O2/c1-16(26(29)30)17-6-9-19(10-7-17)24-15-28-25-23(24)13-22(14-27-25)21-11-8-18-4-2-3-5-20(18)12-21/h2-16H,1H3,(H,27,28)(H,29,30)
InChIKeyUQHCOQGKZXZCFP-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.24
Rot. Bonds4

About 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid

2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid (PubChem CID 45273462) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid
PubChem CID45273462
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C26H20N2O2/c1-16(26(29)30)17-6-9-19(10-7-17)24-15-28-25-23(24)13-22(14-27-25)21-11-8-18-4-2-3-5-20(18)12-21/h2-16H,1H3,(H,27,28)(H,29,30)
InChIKeyUQHCOQGKZXZCFP-UHFFFAOYSA-N
XLogP6.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid (CID 45273462) is 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
The InChIKey is UQHCOQGKZXZCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-16(26(29)30)17-6-9-19(10-7-17)24-15-28-25-23(24)13-22(14-27-25)21-11-8-18-4-2-3-5-20(18)12-21/h2-16H,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 45273462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).