N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

C20H21F4N5O4 — CID 118440845

IUPACN-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
SMILESCOCC(F)(F)[C@H]1OC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OC)cn3)ccc2F)[C@H]1F
InChIInChI=1S/C20H21F4N5O4/c1-19(15(22)16(33-18(25)29-19)20(23,24)9-31-2)11-6-10(4-5-12(11)21)28-17(30)13-7-27-14(32-3)8-26-13/h4-8,15-16H,9H2,1-3H3,(H2,25,29)(H,28,30)/t15-,16-,19+/m0/s1
InChIKeyDENHJGQLLDJUHJ-TXPKVOOTSA-N
MW471.41 g/mol
LogP2.43
Rot. Bonds7

About N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide

N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide (PubChem CID 118440845) has the molecular formula C20H21F4N5O4 and a molecular weight of 471.41 g/mol. Its IUPAC name is N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
PubChem CID118440845
Molecular FormulaC20H21F4N5O4
Molecular Weight471.41 g/mol
Exact Mass471.15
IUPAC NameN-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
SMILESCOCC(F)(F)[C@H]1OC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OC)cn3)ccc2F)[C@H]1F
InChIInChI=1S/C20H21F4N5O4/c1-19(15(22)16(33-18(25)29-19)20(23,24)9-31-2)11-6-10(4-5-12(11)21)28-17(30)13-7-27-14(32-3)8-26-13/h4-8,15-16H,9H2,1-3H3,(H2,25,29)(H,28,30)/t15-,16-,19+/m0/s1
InChIKeyDENHJGQLLDJUHJ-TXPKVOOTSA-N
XLogP2.43
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
CID 123794138
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 71667594
N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118440825
N-[3-[(2S,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122387737
N-[3-[(4R,5R,6S)-2-amino-6-(fluoromethyl)-5-methoxy-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 126693399
N-[3-[2-amino-4-(fluoromethyl)-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 166685719
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078
N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 53250004
N-[3-(5-amino-3-cyclopropyl-2-fluoro-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122512657
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122195837
N-[3-[(4aR)-3-amino-2-methyl-1,1-dioxo-5,6,8,8a-tetrahydropyrano[4,3-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 89036616
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 71667733

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide (CID 118440845) is N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide is COCC(F)(F)[C@H]1OC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OC)cn3)ccc2F)[C@H]1F.
What is the InChIKey of N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
The InChIKey is DENHJGQLLDJUHJ-TXPKVOOTSA-N. The full InChI is InChI=1S/C20H21F4N5O4/c1-19(15(22)16(33-18(25)29-19)20(23,24)9-31-2)11-6-10(4-5-12(11)21)28-17(30)13-7-27-14(32-3)8-26-13/h4-8,15-16H,9H2,1-3H3,(H2,25,29)(H,28,30)/t15-,16-,19+/m0/s1.
What are the key properties of N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide?
N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 471.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoro-2-methoxyethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 118440845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).