3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide

C22H20FN5O2 — CID 53039769

IUPAC3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCNc1c(-c2ccc(F)cc2)nc2cnccn12
InChIInChI=1S/C22H20FN5O2/c1-30-18-5-3-2-4-17(18)26-20(29)10-11-25-22-21(15-6-8-16(23)9-7-15)27-19-14-24-12-13-28(19)22/h2-9,12-14,25H,10-11H2,1H3,(H,26,29)
InChIKeyLMMWTZWKJZPOMS-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.98
Rot. Bonds7

About 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide

3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide (PubChem CID 53039769) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide
PubChem CID53039769
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCNc1c(-c2ccc(F)cc2)nc2cnccn12
InChIInChI=1S/C22H20FN5O2/c1-30-18-5-3-2-4-17(18)26-20(29)10-11-25-22-21(15-6-8-16(23)9-7-15)27-19-14-24-12-13-28(19)22/h2-9,12-14,25H,10-11H2,1H3,(H,26,29)
InChIKeyLMMWTZWKJZPOMS-UHFFFAOYSA-N
XLogP3.98
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
CID 53039715
N-(3,4-difluorophenyl)-3-[[2-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039989
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-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 53039983
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 53039915
methyl 2-[[2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 77134897
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 175772540
3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 53039750
1-(azepan-1-yl)-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
CID 53040031
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide (CID 53039769) is 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCNc1c(-c2ccc(F)cc2)nc2cnccn12.
What is the InChIKey of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is LMMWTZWKJZPOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-30-18-5-3-2-4-17(18)26-20(29)10-11-25-22-21(15-6-8-16(23)9-7-15)27-19-14-24-12-13-28(19)22/h2-9,12-14,25H,10-11H2,1H3,(H,26,29).
What are the key properties of 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide?
3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 405.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 53039769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).