(3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

C20H24FN3O2 — CID 125184327

IUPAC(3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCc1cccc(CN2CC[C@@H]3OCC[C@@]3(COc3ncccc3F)C2)n1
InChIInChI=1S/C20H24FN3O2/c1-15-4-2-5-16(23-15)12-24-10-7-18-20(13-24,8-11-25-18)14-26-19-17(21)6-3-9-22-19/h2-6,9,18H,7-8,10-14H2,1H3/t18-,20-/m0/s1
InChIKeyIVRURWOAAZHOJW-ICSRJNTNSA-N
MW357.43 g/mol
LogP2.98
Rot. Bonds5

About (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine

(3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (PubChem CID 125184327) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
PubChem CID125184327
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
SMILESCc1cccc(CN2CC[C@@H]3OCC[C@@]3(COc3ncccc3F)C2)n1
InChIInChI=1S/C20H24FN3O2/c1-15-4-2-5-16(23-15)12-24-10-7-18-20(13-24,8-11-25-18)14-26-19-17(21)6-3-9-22-19/h2-6,9,18H,7-8,10-14H2,1H3/t18-,20-/m0/s1
InChIKeyIVRURWOAAZHOJW-ICSRJNTNSA-N
XLogP2.98
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine with MolForge

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Related Compounds

(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365679
(3R,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97388355
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(oxan-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97422670
1-[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-ethoxyethanone
CID 97422674
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 97422677
1-[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-cyclopropylethanone
CID 97423377
7-(Pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
CID 97451291
7-[(6-Methyl-2-pyridinyl)methyl]-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
CID 97451292
(7R,8aS)-7-(3-fluorophenoxy)-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458466
8-(Oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 118739584
8-(Pyridin-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 118739786

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine (CID 125184327) is (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is Cc1cccc(CN2CC[C@@H]3OCC[C@@]3(COc3ncccc3F)C2)n1.
What is the InChIKey of (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
The InChIKey is IVRURWOAAZHOJW-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-4-2-5-16(23-15)12-24-10-7-18-20(13-24,8-11-25-18)14-26-19-17(21)6-3-9-22-19/h2-6,9,18H,7-8,10-14H2,1H3/t18-,20-/m0/s1.
What are the key properties of (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine?
(3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine has a molecular weight of 357.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-[(6-methyl-2-pyridinyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 125184327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).