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

C18H20FN5O — CID 53040019

IUPAC3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn12
InChIInChI=1S/C18H20FN5O/c1-12(2)22-16(25)6-7-21-18-17(13-4-3-5-14(19)10-13)23-15-11-20-8-9-24(15)18/h3-5,8-12,21H,6-7H2,1-2H3,(H,22,25)
InChIKeyKMPDQUFNBUJPEF-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.86
Rot. Bonds6

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

3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide (PubChem CID 53040019) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide
PubChem CID53040019
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn12
InChIInChI=1S/C18H20FN5O/c1-12(2)22-16(25)6-7-21-18-17(13-4-3-5-14(19)10-13)23-15-11-20-8-9-24(15)18/h3-5,8-12,21H,6-7H2,1-2H3,(H,22,25)
InChIKeyKMPDQUFNBUJPEF-UHFFFAOYSA-N
XLogP2.86
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53040027
1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
CID 53040031
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 95058468
N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide
CID 53040053
N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039953
N-(3,5-dimethylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039920
3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide
CID 53039769
3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(1-thiophen-2-ylethyl)propanamide
CID 53039886
N-(2-chlorophenyl)-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
CID 53039715
N-benzyl-N-methyl-3-[[2-(3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039837
N-(3,4-difluorophenyl)-3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039989
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
CID 95058400

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide (CID 53040019) is 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn12.
What is the InChIKey of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide?
The InChIKey is KMPDQUFNBUJPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12(2)22-16(25)6-7-21-18-17(13-4-3-5-14(19)10-13)23-15-11-20-8-9-24(15)18/h3-5,8-12,21H,6-7H2,1-2H3,(H,22,25).
What are the key properties of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide?
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide has a molecular weight of 341.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 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]-N-propan-2-ylpropanamide is sourced from PubChem (CID 53040019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).