(1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol

C18H25N3O5 — CID 159658452

IUPAC(1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol
SMILESCOc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](N)[C@@H](CCO)O3)c2n1
InChIInChI=1S/C18H25N3O5/c1-25-15-5-3-12-16(21-15)10(6-8-20-12)17(23)18(24)14-4-2-11(19)13(26-14)7-9-22/h3,5-6,8,11,13-14,17-18,22-24H,2,4,7,9,19H2,1H3/t11-,13-,14+,17-,18-/m1/s1
InChIKeySCUIJDPSBJVITB-UATPLJBMSA-N
MW363.41 g/mol
LogP0.29
Rot. Bonds6

About (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol

(1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol (PubChem CID 159658452) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol
PubChem CID159658452
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol
SMILESCOc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](N)[C@@H](CCO)O3)c2n1
InChIInChI=1S/C18H25N3O5/c1-25-15-5-3-12-16(21-15)10(6-8-20-12)17(23)18(24)14-4-2-11(19)13(26-14)7-9-22/h3,5-6,8,11,13-14,17-18,22-24H,2,4,7,9,19H2,1H3/t11-,13-,14+,17-,18-/m1/s1
InChIKeySCUIJDPSBJVITB-UATPLJBMSA-N
XLogP0.29
TPSA130.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-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

Related Compounds

3-[(2R,3R,6R)-3-amino-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]propane-1,2-diol
CID 67996772
3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 69222743
(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 87729430
2-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]-N-(2-hydroxyethyl)acetamide
CID 69192941
[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid
CID 141388458
benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 77275542
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
CID 141309721
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 66737018
2-[3-(2,1,3-benzoxadiazol-5-ylmethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 58989677
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
8-(2-cyclohexylethyl)-2-methoxy-1,5-naphthyridine
CID 68566539
tert-butyl N-[1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 68515944

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol?
The IUPAC name of (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol (CID 159658452) is (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol.
What is the SMILES notation for (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol?
The canonical SMILES for (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol is COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](N)[C@@H](CCO)O3)c2n1.
What is the InChIKey of (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol?
The InChIKey is SCUIJDPSBJVITB-UATPLJBMSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-25-15-5-3-12-16(21-15)10(6-8-20-12)17(23)18(24)14-4-2-11(19)13(26-14)7-9-22/h3,5-6,8,11,13-14,17-18,22-24H,2,4,7,9,19H2,1H3/t11-,13-,14+,17-,18-/m1/s1.
What are the key properties of (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol?
(1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol has a molecular weight of 363.41 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(2S,5R,6R)-5-amino-6-(2-hydroxyethyl)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 159658452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).