(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid

C17H15ClF3N5O3 — CID 166214967

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14ClN5O.C2HF3O2/c16-15-11(21-10-2-1-3-13(21)20-15)4-5-14(22)19-7-6-12-17-8-9-18-12;3-2(4,5)1(6)7/h1-5,8-10H,6-7H2,(H,17,18)(H,19,22);(H,6,7)/b5-4+;
InChIKeyGNWUBDSPOKOYFB-FXRZFVDSSA-N
MW429.79 g/mol
LogP2.72
Rot. Bonds5

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid (PubChem CID 166214967) has the molecular formula C17H15ClF3N5O3 and a molecular weight of 429.79 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid
PubChem CID166214967
Molecular FormulaC17H15ClF3N5O3
Molecular Weight429.79 g/mol
Exact Mass429.08
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid
SMILESO=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1ncc[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14ClN5O.C2HF3O2/c16-15-11(21-10-2-1-3-13(21)20-15)4-5-14(22)19-7-6-12-17-8-9-18-12;3-2(4,5)1(6)7/h1-5,8-10H,6-7H2,(H,17,18)(H,19,22);(H,6,7)/b5-4+;
InChIKeyGNWUBDSPOKOYFB-FXRZFVDSSA-N
XLogP2.72
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.79
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid (CID 166214967) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid is O=C(/C=C/c1c(Cl)nc2ccccn12)NCCc1ncc[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
The InChIKey is GNWUBDSPOKOYFB-FXRZFVDSSA-N. The full InChI is InChI=1S/C15H14ClN5O.C2HF3O2/c16-15-11(21-10-2-1-3-13(21)20-15)4-5-14(22)19-7-6-12-17-8-9-18-12;3-2(4,5)1(6)7/h1-5,8-10H,6-7H2,(H,17,18)(H,19,22);(H,6,7)/b5-4+;.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid has a molecular weight of 429.79 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166214967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).