6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H26FN5O6 — CID 162671838

IUPAC6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5ccc6c(n5)NC(=O)CO6)CO[C@@H]43)c2n1
InChIInChI=1S/C25H26FN5O6/c1-34-20-5-3-16-21(31-20)14(15(26)9-28-16)6-7-25(33)12-37-22-17(10-36-23(22)25)27-8-13-2-4-18-24(29-13)30-19(32)11-35-18/h2-5,9,17,22-23,27,33H,6-8,10-12H2,1H3,(H,29,30,32)/t17-,22+,23-,25+/m0/s1
InChIKeyLKJYHMUTUWFTMV-YMACDFMISA-N
MW511.51 g/mol
LogP1.12
Rot. Bonds7

About 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 162671838) has the molecular formula C25H26FN5O6 and a molecular weight of 511.51 g/mol. Its IUPAC name is 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID162671838
Molecular FormulaC25H26FN5O6
Molecular Weight511.51 g/mol
Exact Mass511.19
IUPAC Name6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5ccc6c(n5)NC(=O)CO6)CO[C@@H]43)c2n1
InChIInChI=1S/C25H26FN5O6/c1-34-20-5-3-16-21(31-20)14(15(26)9-28-16)6-7-25(33)12-37-22-17(10-36-23(22)25)27-8-13-2-4-18-24(29-13)30-19(32)11-35-18/h2-5,9,17,22-23,27,33H,6-8,10-12H2,1H3,(H,29,30,32)/t17-,22+,23-,25+/m0/s1
InChIKeyLKJYHMUTUWFTMV-YMACDFMISA-N
XLogP1.12
TPSA136.95 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 162671838) is 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(CC[C@@]3(O)CO[C@@H]4[C@@H](NCc5ccc6c(n5)NC(=O)CO6)CO[C@@H]43)c2n1.
What is the InChIKey of 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is LKJYHMUTUWFTMV-YMACDFMISA-N. The full InChI is InChI=1S/C25H26FN5O6/c1-34-20-5-3-16-21(31-20)14(15(26)9-28-16)6-7-25(33)12-37-22-17(10-36-23(22)25)27-8-13-2-4-18-24(29-13)30-19(32)11-35-18/h2-5,9,17,22-23,27,33H,6-8,10-12H2,1H3,(H,29,30,32)/t17-,22+,23-,25+/m0/s1.
What are the key properties of 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 511.51 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3S,3aR,6R,6aS)-6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 162671838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).