N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

C26H24FN5O6 — CID 118736666

IUPACN-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC34CCC(C[C@]5(O)Cn6c(=O)ccc7ncc(F)c5c76)(CC3)OC4)nc2N1
InChIInChI=1S/C26H24FN5O6/c27-14-9-28-15-2-4-19(34)32-12-26(36,20(14)21(15)32)11-25-7-5-24(6-8-25,13-38-25)31-23(35)16-1-3-17-22(29-16)30-18(33)10-37-17/h1-4,9,36H,5-8,10-13H2,(H,31,35)(H,29,30,33)/t24?,25?,26-/m0/s1
InChIKeyGMOXKKYSJTYSES-WNMGUVTHSA-N
MW521.51 g/mol
LogP1.36
Rot. Bonds4

About N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 118736666) has the molecular formula C26H24FN5O6 and a molecular weight of 521.51 g/mol. Its IUPAC name is N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID118736666
Molecular FormulaC26H24FN5O6
Molecular Weight521.51 g/mol
Exact Mass521.17
IUPAC NameN-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC34CCC(C[C@]5(O)Cn6c(=O)ccc7ncc(F)c5c76)(CC3)OC4)nc2N1
InChIInChI=1S/C26H24FN5O6/c27-14-9-28-15-2-4-19(34)32-12-26(36,20(14)21(15)32)11-25-7-5-24(6-8-25,13-38-25)31-23(35)16-1-3-17-22(29-16)30-18(33)10-37-17/h1-4,9,36H,5-8,10-13H2,(H,31,35)(H,29,30,33)/t24?,25?,26-/m0/s1
InChIKeyGMOXKKYSJTYSES-WNMGUVTHSA-N
XLogP1.36
TPSA144.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.51
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 118736666) is N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is O=C1COc2ccc(C(=O)NC34CCC(C[C@]5(O)Cn6c(=O)ccc7ncc(F)c5c76)(CC3)OC4)nc2N1.
What is the InChIKey of N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is GMOXKKYSJTYSES-WNMGUVTHSA-N. The full InChI is InChI=1S/C26H24FN5O6/c27-14-9-28-15-2-4-19(34)32-12-26(36,20(14)21(15)32)11-25-7-5-24(6-8-25,13-38-25)31-23(35)16-1-3-17-22(29-16)30-18(33)10-37-17/h1-4,9,36H,5-8,10-13H2,(H,31,35)(H,29,30,33)/t24?,25?,26-/m0/s1.
What are the key properties of N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 521.51 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 118736666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).