(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide

C20H17ClFN3O — CID 31748403

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H17ClFN3O/c21-20-17(24-12-2-1-3-18(24)23-20)10-11-19(26)25(16-8-9-16)13-14-4-6-15(22)7-5-14/h1-7,10-12,16H,8-9,13H2/b11-10+
InChIKeyOIRKUVRWGWKVTJ-ZHACJKMWSA-N
MW369.83 g/mol
LogP4.33
Rot. Bonds5

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide (PubChem CID 31748403) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide
PubChem CID31748403
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H17ClFN3O/c21-20-17(24-12-2-1-3-18(24)23-20)10-11-19(26)25(16-8-9-16)13-14-4-6-15(22)7-5-14/h1-7,10-12,16H,8-9,13H2/b11-10+
InChIKeyOIRKUVRWGWKVTJ-ZHACJKMWSA-N
XLogP4.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.33
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-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide (CID 31748403) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2ccccn12)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is OIRKUVRWGWKVTJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-20-17(24-12-2-1-3-18(24)23-20)10-11-19(26)25(16-8-9-16)13-14-4-6-15(22)7-5-14/h1-7,10-12,16H,8-9,13H2/b11-10+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 369.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 31748403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).