(1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

C25H29FN4O4 — CID 10205324

IUPAC(1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(cc4F)OCCO5)CC3)c2n1
InChIInChI=1S/C25H29FN4O4/c1-32-24-3-2-20-25(29-24)18(4-7-27-20)21(31)15-30-8-5-17(6-9-30)28-14-16-12-22-23(13-19(16)26)34-11-10-33-22/h2-4,7,12-13,17,21,28,31H,5-6,8-11,14-15H2,1H3/t21-/m0/s1
InChIKeyOWQNDGWKMBNZOX-NRFANRHFSA-N
MW468.53 g/mol
LogP2.84
Rot. Bonds7

About (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

(1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 10205324) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID10205324
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Name(1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(cc4F)OCCO5)CC3)c2n1
InChIInChI=1S/C25H29FN4O4/c1-32-24-3-2-20-25(29-24)18(4-7-27-20)21(31)15-30-8-5-17(6-9-30)28-14-16-12-22-23(13-19(16)26)34-11-10-33-22/h2-4,7,12-13,17,21,28,31H,5-6,8-11,14-15H2,1H3/t21-/m0/s1
InChIKeyOWQNDGWKMBNZOX-NRFANRHFSA-N
XLogP2.84
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-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 (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 10205324) is (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5c(cc4F)OCCO5)CC3)c2n1.
What is the InChIKey of (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is OWQNDGWKMBNZOX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-32-24-3-2-20-25(29-24)18(4-7-27-20)21(31)15-30-8-5-17(6-9-30)28-14-16-12-22-23(13-19(16)26)34-11-10-33-22/h2-4,7,12-13,17,21,28,31H,5-6,8-11,14-15H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
(1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 468.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 10205324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).