1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one

C21H24FN5O — CID 53040031

IUPAC1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)N1CCCCCC1
InChIInChI=1S/C21H24FN5O/c22-17-7-5-6-16(14-17)20-21(27-13-10-23-15-18(27)25-20)24-9-8-19(28)26-11-3-1-2-4-12-26/h5-7,10,13-15,24H,1-4,8-9,11-12H2
InChIKeyXTYLKKCWZGUXNN-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.74
Rot. Bonds5

About 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one

1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one (PubChem CID 53040031) has the molecular formula C21H24FN5O and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
PubChem CID53040031
Molecular FormulaC21H24FN5O
Molecular Weight381.45 g/mol
Exact Mass381.20
IUPAC Name1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)N1CCCCCC1
InChIInChI=1S/C21H24FN5O/c22-17-7-5-6-16(14-17)20-21(27-13-10-23-15-18(27)25-20)24-9-8-19(28)26-11-3-1-2-4-12-26/h5-7,10,13-15,24H,1-4,8-9,11-12H2
InChIKeyXTYLKKCWZGUXNN-UHFFFAOYSA-N
XLogP3.74
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 95058468
N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53040027
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide
CID 53040019
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53039915
3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53039884
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
CID 53039725
3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 53039983
N-benzyl-N-methyl-3-[[2-(3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039837
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
CID 56836935
2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 123283853
2-[4,5-bis(3-fluorophenyl)triazol-1-yl]-1-piperidin-1-ylethanone
CID 59363201

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one (CID 53040031) is 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one is O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
The InChIKey is XTYLKKCWZGUXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-17-7-5-6-16(14-17)20-21(27-13-10-23-15-18(27)25-20)24-9-8-19(28)26-11-3-1-2-4-12-26/h5-7,10,13-15,24H,1-4,8-9,11-12H2.
What are the key properties of 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one has a molecular weight of 381.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one is sourced from PubChem (CID 53040031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).