1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one

C17H24N4O2 — CID 70722103

IUPAC1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
SMILESCN1CCN(C(=O)CCc2cn3ccccc3n2)CC1CCO
InChIInChI=1S/C17H24N4O2/c1-19-9-10-21(13-15(19)7-11-22)17(23)6-5-14-12-20-8-3-2-4-16(20)18-14/h2-4,8,12,15,22H,5-7,9-11,13H2,1H3
InChIKeySEZQYNVZVORFCG-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.79
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one

1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one (PubChem CID 70722103) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
PubChem CID70722103
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
SMILESCN1CCN(C(=O)CCc2cn3ccccc3n2)CC1CCO
InChIInChI=1S/C17H24N4O2/c1-19-9-10-21(13-15(19)7-11-22)17(23)6-5-14-12-20-8-3-2-4-16(20)18-14/h2-4,8,12,15,22H,5-7,9-11,13H2,1H3
InChIKeySEZQYNVZVORFCG-UHFFFAOYSA-N
XLogP0.79
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-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

(3aS,6aS)-5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50968863
1-[(3S,4S)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 133113552
3-imidazo[1,2-a]pyridin-2-yl-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one
CID 45205814
2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
CID 146126092
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889415
3-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889414
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 71893430

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one (CID 70722103) is 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one is CN1CCN(C(=O)CCc2cn3ccccc3n2)CC1CCO.
What is the InChIKey of 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one?
The InChIKey is SEZQYNVZVORFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19-9-10-21(13-15(19)7-11-22)17(23)6-5-14-12-20-8-3-2-4-16(20)18-14/h2-4,8,12,15,22H,5-7,9-11,13H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one?
1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one has a molecular weight of 316.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one is sourced from PubChem (CID 70722103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).