8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile

C20H14F5N7O — CID 90373168

IUPAC8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESC[C@]1(c2nc(Nc3ncc(F)c4cc(C#N)cnc34)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1
InChIInChI=1S/C20H14F5N7O/c1-19(5-13(20(23,24)25)33-18(27)32-19)16-11(21)2-3-14(30-16)31-17-15-10(12(22)8-29-17)4-9(6-26)7-28-15/h2-4,7-8,13H,5H2,1H3,(H2,27,32)(H,29,30,31)/t13-,19+/m0/s1
InChIKeyWFWYGKDLGMHHLO-ORAYPTAESA-N
MW463.37 g/mol
LogP3.80
Rot. Bonds3

About 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile

8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile (PubChem CID 90373168) has the molecular formula C20H14F5N7O and a molecular weight of 463.37 g/mol. Its IUPAC name is 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
PubChem CID90373168
Molecular FormulaC20H14F5N7O
Molecular Weight463.37 g/mol
Exact Mass463.12
IUPAC Name8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESC[C@]1(c2nc(Nc3ncc(F)c4cc(C#N)cnc34)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1
InChIInChI=1S/C20H14F5N7O/c1-19(5-13(20(23,24)25)33-18(27)32-19)16-11(21)2-3-14(30-16)31-17-15-10(12(22)8-29-17)4-9(6-26)7-28-15/h2-4,7-8,13H,5H2,1H3,(H2,27,32)(H,29,30,31)/t13-,19+/m0/s1
InChIKeyWFWYGKDLGMHHLO-ORAYPTAESA-N
XLogP3.80
TPSA122.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile (CID 90373168) is 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile is C[C@]1(c2nc(Nc3ncc(F)c4cc(C#N)cnc34)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1.
What is the InChIKey of 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
The InChIKey is WFWYGKDLGMHHLO-ORAYPTAESA-N. The full InChI is InChI=1S/C20H14F5N7O/c1-19(5-13(20(23,24)25)33-18(27)32-19)16-11(21)2-3-14(30-16)31-17-15-10(12(22)8-29-17)4-9(6-26)7-28-15/h2-4,7-8,13H,5H2,1H3,(H2,27,32)(H,29,30,31)/t13-,19+/m0/s1.
What are the key properties of 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile has a molecular weight of 463.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 90373168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).