(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide

C22H20FN3O — CID 98869555

IUPAC(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C22H20FN3O/c23-19-6-2-1-5-16(19)10-13-22(27)24-18-11-8-17(9-12-18)20-15-26-14-4-3-7-21(26)25-20/h1-2,5-6,8-13,15H,3-4,7,14H2,(H,24,27)/b13-10+
InChIKeyHLUJBVFBPXARRJ-JLHYYAGUSA-N
MW361.42 g/mol
LogP4.68
Rot. Bonds4

About (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide (PubChem CID 98869555) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
PubChem CID98869555
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C22H20FN3O/c23-19-6-2-1-5-16(19)10-13-22(27)24-18-11-8-17(9-12-18)20-15-26-14-4-3-7-21(26)25-20/h1-2,5-6,8-13,15H,3-4,7,14H2,(H,24,27)/b13-10+
InChIKeyHLUJBVFBPXARRJ-JLHYYAGUSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
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-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide (CID 98869555) is (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
The InChIKey is HLUJBVFBPXARRJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-6-2-1-5-16(19)10-13-22(27)24-18-11-8-17(9-12-18)20-15-26-14-4-3-7-21(26)25-20/h1-2,5-6,8-13,15H,3-4,7,14H2,(H,24,27)/b13-10+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide has a molecular weight of 361.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 98869555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).