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

C23H22FN5O — CID 53040053

IUPACN-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn12
InChIInChI=1S/C23H22FN5O/c1-28(16-17-6-3-2-4-7-17)21(30)10-11-26-23-22(18-8-5-9-19(24)14-18)27-20-15-25-12-13-29(20)23/h2-9,12-15,26H,10-11,16H2,1H3
InChIKeyCQESUVUQBQCARW-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.00
Rot. Bonds7

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

N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide (PubChem CID 53040053) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide
PubChem CID53040053
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn12
InChIInChI=1S/C23H22FN5O/c1-28(16-17-6-3-2-4-7-17)21(30)10-11-26-23-22(18-8-5-9-19(24)14-18)27-20-15-25-12-13-29(20)23/h2-9,12-15,26H,10-11,16H2,1H3
InChIKeyCQESUVUQBQCARW-UHFFFAOYSA-N
XLogP4.00
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-3-[[2-(3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039837
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide
CID 53040019
1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
CID 53040031
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]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 95058468
N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039953
N-(2-chlorophenyl)-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
CID 53039715
3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide
CID 53039769
N-benzyl-3-[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111681311
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
CID 53039725
N-(3,4-difluorophenyl)-3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039989
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide (CID 53040053) is N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNc1c(-c2cccc(F)c2)nc2cnccn12.
What is the InChIKey of N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide?
The InChIKey is CQESUVUQBQCARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-28(16-17-6-3-2-4-7-17)21(30)10-11-26-23-22(18-8-5-9-19(24)14-18)27-20-15-25-12-13-29(20)23/h2-9,12-15,26H,10-11,16H2,1H3.
What are the key properties of N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide?
N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide has a molecular weight of 403.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 53040053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).