N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide

C23H22FN5O2 — CID 53039953

IUPACN-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESCOc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C23H22FN5O2/c1-15-18(24)7-4-8-19(15)27-21(30)9-10-26-23-22(16-5-3-6-17(13-16)31-2)28-20-14-25-11-12-29(20)23/h3-8,11-14,26H,9-10H2,1-2H3,(H,27,30)
InChIKeyLDNULUZJRSPIGK-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.29
Rot. Bonds7

About N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide

N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (PubChem CID 53039953) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
PubChem CID53039953
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESCOc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2cccc(F)c2C)c1
InChIInChI=1S/C23H22FN5O2/c1-15-18(24)7-4-8-19(15)27-21(30)9-10-26-23-22(16-5-3-6-17(13-16)31-2)28-20-14-25-11-12-29(20)23/h3-8,11-14,26H,9-10H2,1-2H3,(H,27,30)
InChIKeyLDNULUZJRSPIGK-UHFFFAOYSA-N
XLogP4.29
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(2-chlorophenyl)-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
CID 53039715
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-propan-2-ylpropanamide
CID 53040019
N-(3,4-difluorophenyl)-3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039989
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
N-benzyl-N-methyl-3-[[2-(3-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039837
1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
CID 53040031
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53039915
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-chloro-4-fluorophenyl)methyl]-3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039875

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (CID 53039953) is N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is COc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2cccc(F)c2C)c1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The InChIKey is LDNULUZJRSPIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-15-18(24)7-4-8-19(15)27-21(30)9-10-26-23-22(16-5-3-6-17(13-16)31-2)28-20-14-25-11-12-29(20)23/h3-8,11-14,26H,9-10H2,1-2H3,(H,27,30).
What are the key properties of N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide has a molecular weight of 419.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is sourced from PubChem (CID 53039953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).