1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one

C22H17F2N5O2 — CID 158041244

IUPAC1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one
SMILESCc1cc(-c2nc(C(=O)CCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccn1
InChIInChI=1S/C22H17F2N5O2/c1-12-11-13(7-8-26-12)18-20(22-27-9-10-31-22)29-21(25)19(28-18)17(30)6-5-14-15(23)3-2-4-16(14)24/h2-4,7-11H,5-6H2,1H3,(H2,25,29)
InChIKeyFIJMMOGTCVWBSQ-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.18
Rot. Bonds6

About 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one

1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one (PubChem CID 158041244) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one
PubChem CID158041244
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one
SMILESCc1cc(-c2nc(C(=O)CCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccn1
InChIInChI=1S/C22H17F2N5O2/c1-12-11-13(7-8-26-12)18-20(22-27-9-10-31-22)29-21(25)19(28-18)17(30)6-5-14-15(23)3-2-4-16(14)24/h2-4,7-11H,5-6H2,1H3,(H2,25,29)
InChIKeyFIJMMOGTCVWBSQ-UHFFFAOYSA-N
XLogP4.18
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209351
5-[5-amino-6-[3-(2-fluorophenyl)propanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one
CID 158406919
1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one
CID 159806025
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
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
tris(5-[5-amino-6-[3-(2,6-difluorophenyl)butanoyl]-3-(1,3-oxazol-2-yl)pyrazin-2-yl]-1-methylpyridin-2-one);3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;1-(2,6-difluorophenyl)ethanamine
CID 159403485
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604677
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
1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(2-bromophenyl)propan-1-one
CID 158194737
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-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351365
3-amino-N-[(3-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658075

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one?
The IUPAC name of 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) is 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one?
The canonical SMILES for 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one is Cc1cc(-c2nc(C(=O)CCc3c(F)cccc3F)c(N)nc2-c2ncco2)ccn1.
What is the InChIKey of 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one?
The InChIKey is FIJMMOGTCVWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-12-11-13(7-8-26-12)18-20(22-27-9-10-31-22)29-21(25)19(28-18)17(30)6-5-14-15(23)3-2-4-16(14)24/h2-4,7-11H,5-6H2,1H3,(H2,25,29).
What are the key properties of 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one?
1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one has a molecular weight of 421.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(2,6-difluorophenyl)propan-1-one is sourced from PubChem (CID 158041244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).