6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid

C31H25N3O3 — CID 59517879

IUPAC6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OC(Cc2cccc(-c3ccccn3)c2)Cc2cccc(-c3ccccn3)c2)n1
InChIInChI=1S/C31H25N3O3/c35-31(36)29-14-7-15-30(34-29)37-26(20-22-8-5-10-24(18-22)27-12-1-3-16-32-27)21-23-9-6-11-25(19-23)28-13-2-4-17-33-28/h1-19,26H,20-21H2,(H,35,36)
InChIKeyGOJUWBMKHPGBBP-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.14
Rot. Bonds9

About 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid

6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid (PubChem CID 59517879) has the molecular formula C31H25N3O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid
PubChem CID59517879
Molecular FormulaC31H25N3O3
Molecular Weight487.56 g/mol
Exact Mass487.19
IUPAC Name6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OC(Cc2cccc(-c3ccccn3)c2)Cc2cccc(-c3ccccn3)c2)n1
InChIInChI=1S/C31H25N3O3/c35-31(36)29-14-7-15-30(34-29)37-26(20-22-8-5-10-24(18-22)27-12-1-3-16-32-27)21-23-9-6-11-25(19-23)28-13-2-4-17-33-28/h1-19,26H,20-21H2,(H,35,36)
InChIKeyGOJUWBMKHPGBBP-UHFFFAOYSA-N
XLogP6.14
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]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 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid (CID 59517879) is 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid is O=C(O)c1cccc(OC(Cc2cccc(-c3ccccn3)c2)Cc2cccc(-c3ccccn3)c2)n1.
What is the InChIKey of 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid?
The InChIKey is GOJUWBMKHPGBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O3/c35-31(36)29-14-7-15-30(34-29)37-26(20-22-8-5-10-24(18-22)27-12-1-3-16-32-27)21-23-9-6-11-25(19-23)28-13-2-4-17-33-28/h1-19,26H,20-21H2,(H,35,36).
What are the key properties of 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid?
6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid has a molecular weight of 487.56 g/mol, XLogP of 6.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,3-bis(3-pyridin-2-ylphenyl)propan-2-yloxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 59517879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).