3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide

C22H23N5OS — CID 53039886

IUPAC3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)NC(C)c1cccs1
InChIInChI=1S/C22H23N5OS/c1-15-6-3-4-7-17(15)21-22(27-12-11-23-14-19(27)26-21)24-10-9-20(28)25-16(2)18-8-5-13-29-18/h3-8,11-14,16,24H,9-10H2,1-2H3,(H,25,28)
InChIKeyMXUCMLMNYLZPKO-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.45
Rot. Bonds7

About 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide

3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 53039886) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID53039886
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)NC(C)c1cccs1
InChIInChI=1S/C22H23N5OS/c1-15-6-3-4-7-17(15)21-22(27-12-11-23-14-19(27)26-21)24-10-9-20(28)25-16(2)18-8-5-13-29-18/h3-8,11-14,16,24H,9-10H2,1-2H3,(H,25,28)
InChIKeyMXUCMLMNYLZPKO-UHFFFAOYSA-N
XLogP4.45
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide (CID 53039886) is 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide is Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)NC(C)c1cccs1.
What is the InChIKey of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is MXUCMLMNYLZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-15-6-3-4-7-17(15)21-22(27-12-11-23-14-19(27)26-21)24-10-9-20(28)25-16(2)18-8-5-13-29-18/h3-8,11-14,16,24H,9-10H2,1-2H3,(H,25,28).
What are the key properties of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide?
3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 405.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 53039886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).