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

C24H28N4O6 — CID 73333622

IUPAC(1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)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](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H28N4O6/c1-31-21-5-3-17-22(28-21)16(6-7-25-17)23(29)24(30)18-4-2-14(13-34-18)26-11-15-10-19-20(12-27-15)33-9-8-32-19/h3,5-7,10,12,14,18,23-24,26,29-30H,2,4,8-9,11,13H2,1H3/t14-,18+,23-,24-/m1/s1
InChIKeyFHTDGAZUCMURNX-USQCNKNISA-N
MW468.51 g/mol
LogP1.54
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-methoxy-1,5-naphthyridin-4-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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol (PubChem CID 73333622) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 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-methoxy-1,5-naphthyridin-4-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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol
PubChem CID73333622
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol
SMILESCOc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H28N4O6/c1-31-21-5-3-17-22(28-21)16(6-7-25-17)23(29)24(30)18-4-2-14(13-34-18)26-11-15-10-19-20(12-27-15)33-9-8-32-19/h3,5-7,10,12,14,18,23-24,26,29-30H,2,4,8-9,11,13H2,1H3/t14-,18+,23-,24-/m1/s1
InChIKeyFHTDGAZUCMURNX-USQCNKNISA-N
XLogP1.54
TPSA128.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 51.54
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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol with MolForge

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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-methoxy-1,5-naphthyridin-4-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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol (CID 73333622) is (1S,2R)-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)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)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol is COc1ccc2nccc([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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol?
The InChIKey is FHTDGAZUCMURNX-USQCNKNISA-N. The full InChI is InChI=1S/C24H28N4O6/c1-31-21-5-3-17-22(28-21)16(6-7-25-17)23(29)24(30)18-4-2-14(13-34-18)26-11-15-10-19-20(12-27-15)33-9-8-32-19/h3,5-7,10,12,14,18,23-24,26,29-30H,2,4,8-9,11,13H2,1H3/t14-,18+,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-methoxy-1,5-naphthyridin-4-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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol has a molecular weight of 468.51 g/mol, XLogP of 1.54, 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-methoxy-1,5-naphthyridin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 73333622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).