(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide

C17H12ClF2N3OS — CID 26908510

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H12ClF2N3OS/c18-16-13(23-10-2-1-3-14(23)22-16)8-9-15(24)21-11-4-6-12(7-5-11)25-17(19)20/h1-10,17H,(H,21,24)/b9-8+
InChIKeyPGBYORMCDSMGKK-CMDGGOBGSA-N
MW379.82 g/mol
LogP4.95
Rot. Bonds5

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide (PubChem CID 26908510) has the molecular formula C17H12ClF2N3OS and a molecular weight of 379.82 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
PubChem CID26908510
Molecular FormulaC17H12ClF2N3OS
Molecular Weight379.82 g/mol
Exact Mass379.04
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H12ClF2N3OS/c18-16-13(23-10-2-1-3-14(23)22-16)8-9-15(24)21-11-4-6-12(7-5-11)25-17(19)20/h1-10,17H,(H,21,24)/b9-8+
InChIKeyPGBYORMCDSMGKK-CMDGGOBGSA-N
XLogP4.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
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)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide (CID 26908510) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The InChIKey is PGBYORMCDSMGKK-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H12ClF2N3OS/c18-16-13(23-10-2-1-3-14(23)22-16)8-9-15(24)21-11-4-6-12(7-5-11)25-17(19)20/h1-10,17H,(H,21,24)/b9-8+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide has a molecular weight of 379.82 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 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)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide is sourced from PubChem (CID 26908510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).