(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one

C22H14ClFN2O — CID 56965295

IUPAC(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccc(Cl)cc2)nc2ccccn12)c1cccc(F)c1
InChIInChI=1S/C22H14ClFN2O/c23-17-9-7-15(8-10-17)22-19(26-13-2-1-6-21(26)25-22)11-12-20(27)16-4-3-5-18(24)14-16/h1-14H/b12-11+
InChIKeyNVXFVOSPFDHGGD-VAWYXSNFSA-N
MW376.82 g/mol
LogP5.69
Rot. Bonds4

About (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one

(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one (PubChem CID 56965295) has the molecular formula C22H14ClFN2O and a molecular weight of 376.82 g/mol. Its IUPAC name is (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one
PubChem CID56965295
Molecular FormulaC22H14ClFN2O
Molecular Weight376.82 g/mol
Exact Mass376.08
IUPAC Name(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccc(Cl)cc2)nc2ccccn12)c1cccc(F)c1
InChIInChI=1S/C22H14ClFN2O/c23-17-9-7-15(8-10-17)22-19(26-13-2-1-6-21(26)25-22)11-12-20(27)16-4-3-5-18(24)14-16/h1-14H/b12-11+
InChIKeyNVXFVOSPFDHGGD-VAWYXSNFSA-N
XLogP5.69
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one (CID 56965295) is (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1c(-c2ccc(Cl)cc2)nc2ccccn12)c1cccc(F)c1.
What is the InChIKey of (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one?
The InChIKey is NVXFVOSPFDHGGD-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H14ClFN2O/c23-17-9-7-15(8-10-17)22-19(26-13-2-1-6-21(26)25-22)11-12-20(27)16-4-3-5-18(24)14-16/h1-14H/b12-11+.
What are the key properties of (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one?
(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one has a molecular weight of 376.82 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 56965295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).