6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C27H26FN5O7 — CID 127035655

IUPAC6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c([C@H]3OC(=O)O[C@@H]3C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1
InChIInChI=1S/C27H26FN5O7/c1-36-19-5-3-16-21(33-19)20(15(28)11-29-16)22-23(40-25(35)39-22)27-8-6-26(7-9-27,13-38-27)30-10-14-2-4-17-24(31-14)32-18(34)12-37-17/h2-5,11,22-23,30H,6-10,12-13H2,1H3,(H,31,32,34)/t22-,23+,26?,27?/m1/s1
InChIKeyRQJYUMODSOHFKA-JIRKYJOESA-N
MW551.53 g/mol
LogP2.95
Rot. Bonds6

About 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 127035655) has the molecular formula C27H26FN5O7 and a molecular weight of 551.53 g/mol. Its IUPAC name is 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID127035655
Molecular FormulaC27H26FN5O7
Molecular Weight551.53 g/mol
Exact Mass551.18
IUPAC Name6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c([C@H]3OC(=O)O[C@@H]3C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1
InChIInChI=1S/C27H26FN5O7/c1-36-19-5-3-16-21(33-19)20(15(28)11-29-16)22-23(40-25(35)39-22)27-8-6-26(7-9-27,13-38-27)30-10-14-2-4-17-24(31-14)32-18(34)12-37-17/h2-5,11,22-23,30H,6-10,12-13H2,1H3,(H,31,32,34)/t22-,23+,26?,27?/m1/s1
InChIKeyRQJYUMODSOHFKA-JIRKYJOESA-N
XLogP2.95
TPSA143.02 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-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-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 127035655) is 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c([C@H]3OC(=O)O[C@@H]3C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1.
What is the InChIKey of 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is RQJYUMODSOHFKA-JIRKYJOESA-N. The full InChI is InChI=1S/C27H26FN5O7/c1-36-19-5-3-16-21(33-19)20(15(28)11-29-16)22-23(40-25(35)39-22)27-8-6-26(7-9-27,13-38-27)30-10-14-2-4-17-24(31-14)32-18(34)12-37-17/h2-5,11,22-23,30H,6-10,12-13H2,1H3,(H,31,32,34)/t22-,23+,26?,27?/m1/s1.
What are the key properties of 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 551.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[(4S,5R)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-oxo-1,3-dioxolan-4-yl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 127035655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).