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

C20H17ClFN3O2 — CID 134044214

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H17ClFN3O2/c21-20-16(25-10-2-1-3-18(25)23-20)8-9-19(26)24-11-12-27-17(13-24)14-4-6-15(22)7-5-14/h1-10,17H,11-13H2/b9-8+
InChIKeyLCVOLQJFSPYNMY-CMDGGOBGSA-N
MW385.83 g/mol
LogP3.74
Rot. Bonds3

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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 134044214) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
PubChem CID134044214
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H17ClFN3O2/c21-20-16(25-10-2-1-3-18(25)23-20)8-9-19(26)24-11-12-27-17(13-24)14-4-6-15(22)7-5-14/h1-10,17H,11-13H2/b9-8+
InChIKeyLCVOLQJFSPYNMY-CMDGGOBGSA-N
XLogP3.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one (CID 134044214) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one is O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is LCVOLQJFSPYNMY-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-20-16(25-10-2-1-3-18(25)23-20)8-9-19(26)24-11-12-27-17(13-24)14-4-6-15(22)7-5-14/h1-10,17H,11-13H2/b9-8+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 385.83 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 134044214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).