(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol

C24H27FN4O6 — CID 73333853

IUPAC(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol
SMILESCOc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H27FN4O6/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-35-17)26-9-14-8-18-19(10-27-14)34-7-6-33-18/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
InChIKeyVQIOYVHLFZXJKX-LHGREFERSA-N
MW486.50 g/mol
LogP1.68
Rot. Bonds7

About (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol

(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol (PubChem CID 73333853) has the molecular formula C24H27FN4O6 and a molecular weight of 486.50 g/mol. Its IUPAC name is (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol
PubChem CID73333853
Molecular FormulaC24H27FN4O6
Molecular Weight486.50 g/mol
Exact Mass486.19
IUPAC Name(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol
SMILESCOc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H27FN4O6/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-35-17)26-9-14-8-18-19(10-27-14)34-7-6-33-18/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
InChIKeyVQIOYVHLFZXJKX-LHGREFERSA-N
XLogP1.68
TPSA128.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol?
The IUPAC name of (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol (CID 73333853) is (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol.
What is the SMILES notation for (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol?
The canonical SMILES for (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol is COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1.
What is the InChIKey of (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol?
The InChIKey is VQIOYVHLFZXJKX-LHGREFERSA-N. The full InChI is InChI=1S/C24H27FN4O6/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-35-17)26-9-14-8-18-19(10-27-14)34-7-6-33-18/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1.
What are the key properties of (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol?
(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol has a molecular weight of 486.50 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-fluoro-3-methoxyquinoxalin-5-yl)ethane-1,2-diol is sourced from PubChem (CID 73333853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).