5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one

C22H18FN5O3 — CID 158406919

IUPAC5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2nc(C(=O)CCc3ccccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C22H18FN5O3/c1-28-12-14(7-9-17(28)30)18-20(22-25-10-11-31-22)27-21(24)19(26-18)16(29)8-6-13-4-2-3-5-15(13)23/h2-5,7,9-12H,6,8H2,1H3,(H2,24,27)
InChIKeyGYUXJOAYFGDKQI-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.03
Rot. Bonds6

About 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one

5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one (PubChem CID 158406919) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one
PubChem CID158406919
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2nc(C(=O)CCc3ccccc3F)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C22H18FN5O3/c1-28-12-14(7-9-17(28)30)18-20(22-25-10-11-31-22)27-21(24)19(26-18)16(29)8-6-13-4-2-3-5-15(13)23/h2-5,7,9-12H,6,8H2,1H3,(H2,24,27)
InChIKeyGYUXJOAYFGDKQI-UHFFFAOYSA-N
XLogP3.03
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one
CID 158041244
3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid
CID 146386593
1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-1-one
CID 159246737
5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
CID 157417948
1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(6-morpholin-4-yl-2-pyridinyl)propan-1-one
CID 158709848
1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]propan-1-one
CID 158011912
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209351
3-amino-N-[(2-dimethylphosphoryl-6-fluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146386494
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide
CID 146380254
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678730
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 146380235

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one (CID 158406919) is 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one is Cn1cc(-c2nc(C(=O)CCc3ccccc3F)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
The InChIKey is GYUXJOAYFGDKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-28-12-14(7-9-17(28)30)18-20(22-25-10-11-31-22)27-21(24)19(26-18)16(29)8-6-13-4-2-3-5-15(13)23/h2-5,7,9-12H,6,8H2,1H3,(H2,24,27).
What are the key properties of 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one?
5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one has a molecular weight of 419.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 158406919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).