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

C20H18ClFN4O — CID 2349288

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18ClFN4O/c21-20-17(26-10-4-3-7-18(26)23-20)8-9-19(27)25-13-11-24(12-14-25)16-6-2-1-5-15(16)22/h1-10H,11-14H2/b9-8+
InChIKeyRBLWZLRBLRLJGY-CMDGGOBGSA-N
MW384.84 g/mol
LogP3.49
Rot. Bonds3

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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 2349288) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID2349288
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18ClFN4O/c21-20-17(26-10-4-3-7-18(26)23-20)8-9-19(27)25-13-11-24(12-14-25)16-6-2-1-5-15(16)22/h1-10H,11-14H2/b9-8+
InChIKeyRBLWZLRBLRLJGY-CMDGGOBGSA-N
XLogP3.49
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.49
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-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one (CID 2349288) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one is O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is RBLWZLRBLRLJGY-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-20-17(26-10-4-3-7-18(26)23-20)8-9-19(27)25-13-11-24(12-14-25)16-6-2-1-5-15(16)22/h1-10H,11-14H2/b9-8+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 384.84 g/mol, XLogP of 3.49, 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-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 2349288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).