3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

C22H27N5O — CID 95058442

IUPAC3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C22H27N5O/c1-16-6-5-12-26(15-16)20(28)9-10-24-22-21(18-8-4-3-7-17(18)2)25-19-14-23-11-13-27(19)22/h3-4,7-8,11,13-14,16,24H,5-6,9-10,12,15H2,1-2H3/t16-/m0/s1
InChIKeyIUFZVNGQQZNTMG-INIZCTEOSA-N
MW377.49 g/mol
LogP3.77
Rot. Bonds5

About 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one

3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 95058442) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID95058442
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C22H27N5O/c1-16-6-5-12-26(15-16)20(28)9-10-24-22-21(18-8-4-3-7-17(18)2)25-19-14-23-11-13-27(19)22/h3-4,7-8,11,13-14,16,24H,5-6,9-10,12,15H2,1-2H3/t16-/m0/s1
InChIKeyIUFZVNGQQZNTMG-INIZCTEOSA-N
XLogP3.77
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53039884
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 95058468
3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 53039750
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53039915
1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
CID 53040031
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
N-(3,4-difluorophenyl)-3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039989
1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 119489264
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 47091483
1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109032918
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one (CID 95058442) is 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is IUFZVNGQQZNTMG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-6-5-12-26(15-16)20(28)9-10-24-22-21(18-8-4-3-7-17(18)2)25-19-14-23-11-13-27(19)22/h3-4,7-8,11,13-14,16,24H,5-6,9-10,12,15H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one?
3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 377.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95058442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).