2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol

C20H15ClFN3O — CID 45487937

IUPAC2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol
SMILESOCCc1cc(Cl)n2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H15ClFN3O/c21-17-11-13(7-10-26)12-18-24-19(14-1-3-16(22)4-2-14)20(25(17)18)15-5-8-23-9-6-15/h1-6,8-9,11-12,26H,7,10H2
InChIKeyBTVZYVFJLRSSCW-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.39
Rot. Bonds4

About 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol

2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol (PubChem CID 45487937) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol
PubChem CID45487937
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol
SMILESOCCc1cc(Cl)n2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H15ClFN3O/c21-17-11-13(7-10-26)12-18-24-19(14-1-3-16(22)4-2-14)20(25(17)18)15-5-8-23-9-6-15/h1-6,8-9,11-12,26H,7,10H2
InChIKeyBTVZYVFJLRSSCW-UHFFFAOYSA-N
XLogP4.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol?
The IUPAC name of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol (CID 45487937) is 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol?
The canonical SMILES for 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol is OCCc1cc(Cl)n2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol?
The InChIKey is BTVZYVFJLRSSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-17-11-13(7-10-26)12-18-24-19(14-1-3-16(22)4-2-14)20(25(17)18)15-5-8-23-9-6-15/h1-6,8-9,11-12,26H,7,10H2.
What are the key properties of 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol?
2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol has a molecular weight of 367.81 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridin-7-yl]ethanol is sourced from PubChem (CID 45487937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).