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

C23H25FN4O6 — CID 146503194

IUPAC2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c(C(O)CC3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C23H25FN4O6/c1-30-20-3-2-16-23(28-20)22(15(24)9-27-16)17(29)7-21-33-11-14(12-34-21)25-8-13-6-18-19(10-26-13)32-5-4-31-18/h2-3,6,9-10,14,17,21,25,29H,4-5,7-8,11-12H2,1H3
InChIKeyLCOLURQRVPFTDK-UHFFFAOYSA-N
MW472.47 g/mol
LogP1.90
Rot. Bonds7

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

2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 146503194) has the molecular formula C23H25FN4O6 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID146503194
Molecular FormulaC23H25FN4O6
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c(C(O)CC3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C23H25FN4O6/c1-30-20-3-2-16-23(28-20)22(15(24)9-27-16)17(29)7-21-33-11-14(12-34-21)25-8-13-6-18-19(10-26-13)32-5-4-31-18/h2-3,6,9-10,14,17,21,25,29H,4-5,7-8,11-12H2,1H3
InChIKeyLCOLURQRVPFTDK-UHFFFAOYSA-N
XLogP1.90
TPSA117.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 146503194) is 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2ncc(F)c(C(O)CC3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2n1.
What is the InChIKey of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is LCOLURQRVPFTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O6/c1-30-20-3-2-16-23(28-20)22(15(24)9-27-16)17(29)7-21-33-11-14(12-34-21)25-8-13-6-18-19(10-26-13)32-5-4-31-18/h2-3,6,9-10,14,17,21,25,29H,4-5,7-8,11-12H2,1H3.
What are the key properties of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol?
2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 472.47 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 146503194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).