6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid

C26H23F3N2O2 — CID 70696402

IUPAC6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid
SMILESO=C(O)CCCCCc1ccn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C26H23F3N2O2/c27-26(28,29)22-16-20(11-12-21(22)19-8-4-2-5-9-19)23-17-31-14-13-18(15-24(31)30-23)7-3-1-6-10-25(32)33/h2,4-5,8-9,11-17H,1,3,6-7,10H2,(H,32,33)
InChIKeyPQYSSMAVSNAZEA-UHFFFAOYSA-N
MW452.48 g/mol
LogP6.87
Rot. Bonds8

About 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid

6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid (PubChem CID 70696402) has the molecular formula C26H23F3N2O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid.

Molecular Properties

Compound Name6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid
PubChem CID70696402
Molecular FormulaC26H23F3N2O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid
SMILESO=C(O)CCCCCc1ccn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C26H23F3N2O2/c27-26(28,29)22-16-20(11-12-21(22)19-8-4-2-5-9-19)23-17-31-14-13-18(15-24(31)30-23)7-3-1-6-10-25(32)33/h2,4-5,8-9,11-17H,1,3,6-7,10H2,(H,32,33)
InChIKeyPQYSSMAVSNAZEA-UHFFFAOYSA-N
XLogP6.87
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid?
The IUPAC name of 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid (CID 70696402) is 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid.
What is the SMILES notation for 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid?
The canonical SMILES for 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid is O=C(O)CCCCCc1ccn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid?
The InChIKey is PQYSSMAVSNAZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2/c27-26(28,29)22-16-20(11-12-21(22)19-8-4-2-5-9-19)23-17-31-14-13-18(15-24(31)30-23)7-3-1-6-10-25(32)33/h2,4-5,8-9,11-17H,1,3,6-7,10H2,(H,32,33).
What are the key properties of 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid?
6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid has a molecular weight of 452.48 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]hexanoic acid is sourced from PubChem (CID 70696402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).