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

C24H28N4O5 — CID 73333429

IUPAC2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)C[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H28N4O5/c1-30-23-5-4-19-24(28-23)18(6-7-25-19)20(29)11-17-3-2-15(14-33-17)26-12-16-10-21-22(13-27-16)32-9-8-31-21/h4-7,10,13,15,17,20,26,29H,2-3,8-9,11-12,14H2,1H3/t15-,17+,20?/m1/s1
InChIKeyRXUHYHMLLDSVIR-MNQXGVLQSA-N
MW452.51 g/mol
LogP2.57
Rot. Bonds7

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

2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 73333429) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID73333429
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)C[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C24H28N4O5/c1-30-23-5-4-19-24(28-23)18(6-7-25-19)20(29)11-17-3-2-15(14-33-17)26-12-16-10-21-22(13-27-16)32-9-8-31-21/h4-7,10,13,15,17,20,26,29H,2-3,8-9,11-12,14H2,1H3/t15-,17+,20?/m1/s1
InChIKeyRXUHYHMLLDSVIR-MNQXGVLQSA-N
XLogP2.57
TPSA107.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 73333429) is 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2nccc(C(O)C[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1.
What is the InChIKey of 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is RXUHYHMLLDSVIR-MNQXGVLQSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-30-23-5-4-19-24(28-23)18(6-7-25-19)20(29)11-17-3-2-15(14-33-17)26-12-16-10-21-22(13-27-16)32-9-8-31-21/h4-7,10,13,15,17,20,26,29H,2-3,8-9,11-12,14H2,1H3/t15-,17+,20?/m1/s1.
What are the key properties of 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 452.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 73333429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).