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

C21H24FN5O — CID 95058468

IUPAC3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)CCNc2c(-c3cccc(F)c3)nc3cnccn23)C1
InChIInChI=1S/C21H24FN5O/c1-15-4-3-10-26(14-15)19(28)7-8-24-21-20(16-5-2-6-17(22)12-16)25-18-13-23-9-11-27(18)21/h2,5-6,9,11-13,15,24H,3-4,7-8,10,14H2,1H3/t15-/m1/s1
InChIKeyBDUBDAHMJFYXGC-OAHLLOKOSA-N
MW381.45 g/mol
LogP3.60
Rot. Bonds5

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

3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 95058468) has the molecular formula C21H24FN5O and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID95058468
Molecular FormulaC21H24FN5O
Molecular Weight381.45 g/mol
Exact Mass381.20
IUPAC Name3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)CCNc2c(-c3cccc(F)c3)nc3cnccn23)C1
InChIInChI=1S/C21H24FN5O/c1-15-4-3-10-26(14-15)19(28)7-8-24-21-20(16-5-2-6-17(22)12-16)25-18-13-23-9-11-27(18)21/h2,5-6,9,11-13,15,24H,3-4,7-8,10,14H2,1H3/t15-/m1/s1
InChIKeyBDUBDAHMJFYXGC-OAHLLOKOSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
CID 53040031
3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 95058442
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide
CID 53040019
N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53040027
N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide
CID 53040053
3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 53039983
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-(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
N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039953
N-benzyl-N-methyl-3-[[2-(3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039837
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (CID 95058468) is 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CCCN(C(=O)CCNc2c(-c3cccc(F)c3)nc3cnccn23)C1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is BDUBDAHMJFYXGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-15-4-3-10-26(14-15)19(28)7-8-24-21-20(16-5-2-6-17(22)12-16)25-18-13-23-9-11-27(18)21/h2,5-6,9,11-13,15,24H,3-4,7-8,10,14H2,1H3/t15-/m1/s1.
What are the key properties of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 381.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95058468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).