3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C19H18F7N7O3 — CID 88602362

IUPAC3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(OCC(F)(F)F)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1
InChIKeyFKENLPZVPNVYQW-DLBZAZTESA-N
MW525.39 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 88602362) has the molecular formula C19H18F7N7O3 and a molecular weight of 525.39 g/mol. Its IUPAC name is 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID88602362
Molecular FormulaC19H18F7N7O3
Molecular Weight525.39 g/mol
Exact Mass525.14
IUPAC Name3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@@]1(c2nc(NC(=O)c3ncc(OCC(F)(F)F)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1
InChIKeyFKENLPZVPNVYQW-DLBZAZTESA-N
XLogP2.71
TPSA150.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 88602362) is 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is C[C@@]1(c2nc(NC(=O)c3ncc(OCC(F)(F)F)nc3N)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is FKENLPZVPNVYQW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1.
What are the key properties of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 525.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 88602362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).