(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one

C17H22N4O — CID 170250548

IUPAC(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one
SMILESCC(=O)C/C=C/c1nc2ccccn2c1N1CCN(C)CC1
InChIInChI=1S/C17H22N4O/c1-14(22)6-5-7-15-17(20-12-10-19(2)11-13-20)21-9-4-3-8-16(21)18-15/h3-5,7-9H,6,10-13H2,1-2H3/b7-5+
InChIKeyPBQVRNQODMDAQC-FNORWQNLSA-N
MW298.39 g/mol
LogP2.08
Rot. Bonds4

About (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one

(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one (PubChem CID 170250548) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one.

Molecular Properties

Compound Name(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one
PubChem CID170250548
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one
SMILESCC(=O)C/C=C/c1nc2ccccn2c1N1CCN(C)CC1
InChIInChI=1S/C17H22N4O/c1-14(22)6-5-7-15-17(20-12-10-19(2)11-13-20)21-9-4-3-8-16(21)18-15/h3-5,7-9H,6,10-13H2,1-2H3/b7-5+
InChIKeyPBQVRNQODMDAQC-FNORWQNLSA-N
XLogP2.08
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one with MolForge

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Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028866
2-[3-(4-methylpiperazin-1-yl)-6-[(E,2E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-2-[(3-methyl-2-pyridinyl)methylidene]-3-oxopent-4-enyl]imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one
CID 145424681
3-acetylimidazo[1,2-a]pyridine-2-carbaldehyde
CID 11240902
(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one
CID 145424612
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357370
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid
CID 71742363
N-[[2-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 43478186
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891685
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567

Frequently Asked Questions

What is the IUPAC name of (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one?
The IUPAC name of (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one (CID 170250548) is (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one.
What is the SMILES notation for (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one?
The canonical SMILES for (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one is CC(=O)C/C=C/c1nc2ccccn2c1N1CCN(C)CC1.
What is the InChIKey of (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one?
The InChIKey is PBQVRNQODMDAQC-FNORWQNLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14(22)6-5-7-15-17(20-12-10-19(2)11-13-20)21-9-4-3-8-16(21)18-15/h3-5,7-9H,6,10-13H2,1-2H3/b7-5+.
What are the key properties of (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one?
(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one is sourced from PubChem (CID 170250548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).