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

C16H19ClN4O — CID 75462956

IUPAC(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one
SMILESCC1CN(C)CCN1C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H19ClN4O/c1-12-11-19(2)9-10-20(12)15(22)7-6-13-16(17)18-14-5-3-4-8-21(13)14/h3-8,12H,9-11H2,1-2H3/b7-6+
InChIKeyLFWGCERQASXZBZ-VOTSOKGWSA-N
MW318.81 g/mol
LogP2.16
Rot. Bonds2

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

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 75462956) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one
PubChem CID75462956
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one
SMILESCC1CN(C)CCN1C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H19ClN4O/c1-12-11-19(2)9-10-20(12)15(22)7-6-13-16(17)18-14-5-3-4-8-21(13)14/h3-8,12H,9-11H2,1-2H3/b7-6+
InChIKeyLFWGCERQASXZBZ-VOTSOKGWSA-N
XLogP2.16
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.16
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-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one (CID 75462956) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one is CC1CN(C)CCN1C(=O)/C=C/c1c(Cl)nc2ccccn12.
What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is LFWGCERQASXZBZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12-11-19(2)9-10-20(12)15(22)7-6-13-16(17)18-14-5-3-4-8-21(13)14/h3-8,12H,9-11H2,1-2H3/b7-6+.
What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one?
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 318.81 g/mol, XLogP of 2.16, 2 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-(2,4-dimethylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 75462956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).