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

C16H20N4O — CID 145424612

IUPAC(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one
SMILESCC(=O)/C=C/c1cn2c(N3CCN(C)CC3)cccc2n1
InChIInChI=1S/C16H20N4O/c1-13(21)6-7-14-12-20-15(17-14)4-3-5-16(20)19-10-8-18(2)9-11-19/h3-7,12H,8-11H2,1-2H3/b7-6+
InChIKeyIMCHNARUDRXERP-VOTSOKGWSA-N
MW284.36 g/mol
LogP1.69
Rot. Bonds3

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

(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one (PubChem CID 145424612) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one
PubChem CID145424612
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one
SMILESCC(=O)/C=C/c1cn2c(N3CCN(C)CC3)cccc2n1
InChIInChI=1S/C16H20N4O/c1-13(21)6-7-14-12-20-15(17-14)4-3-5-16(20)19-10-8-18(2)9-11-19/h3-7,12H,8-11H2,1-2H3/b7-6+
InChIKeyIMCHNARUDRXERP-VOTSOKGWSA-N
XLogP1.69
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;oxalic acid
CID 71742363
[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanol
CID 58985317
4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazine-1-carboxylic acid
CID 68647071
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-(4-phenylphenyl)methanamine
CID 143198338
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one
CID 170250548
3-[6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enoic acid
CID 67366361
[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 143196391
2-[6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424641
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-pyridin-2-ylmethanamine;5,6,7,8-tetrahydroquinoline
CID 143208914
4-[4-(methylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]but-3-en-2-one
CID 90456817
2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424524

Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one?
The IUPAC name of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one (CID 145424612) is (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one?
The canonical SMILES for (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one is CC(=O)/C=C/c1cn2c(N3CCN(C)CC3)cccc2n1.
What is the InChIKey of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one?
The InChIKey is IMCHNARUDRXERP-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13(21)6-7-14-12-20-15(17-14)4-3-5-16(20)19-10-8-18(2)9-11-19/h3-7,12H,8-11H2,1-2H3/b7-6+.
What are the key properties of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one?
(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one is sourced from PubChem (CID 145424612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).