5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C25H25ClFN3O2 — CID 71233518

IUPAC5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)ccn2)c2cccnc23)cc1
InChIInChI=1S/C25H25ClFN3O2/c1-17(27)31-20-6-4-18(5-7-20)16-30-13-9-25(10-14-30)24-21(3-2-11-29-24)23(32-25)22-15-19(26)8-12-28-22/h2-8,11-12,15,17,23H,9-10,13-14,16H2,1H3
InChIKeyVLRMLLWQMMDQEK-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.44
Rot. Bonds5

About 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 71233518) has the molecular formula C25H25ClFN3O2 and a molecular weight of 453.95 g/mol. Its IUPAC name is 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID71233518
Molecular FormulaC25H25ClFN3O2
Molecular Weight453.95 g/mol
Exact Mass453.16
IUPAC Name5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)ccn2)c2cccnc23)cc1
InChIInChI=1S/C25H25ClFN3O2/c1-17(27)31-20-6-4-18(5-7-20)16-30-13-9-25(10-14-30)24-21(3-2-11-29-24)23(32-25)22-15-19(26)8-12-28-22/h2-8,11-12,15,17,23H,9-10,13-14,16H2,1H3
InChIKeyVLRMLLWQMMDQEK-UHFFFAOYSA-N
XLogP5.44
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] with MolForge

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Related Compounds

Benzodihydroisofuran derivative 1
CID 54577783
Benzodihydroisofuran derivative 2
CID 57393568
Benzodihydroisofuran derivative 3
CID 57404019
1-(4-chloro-1-oxidopyridin-1-ium-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 54577784
2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-pyridin-4-yl-ethyl)-pyridine
CID 10426859
1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402299
5-(4-Chloro-phenyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
CID 9978490
1-[2-[4-[2-[5-(4-Chlorophenyl)pyridin-2-yl]ethynyl]phenoxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 11504274
5-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57395279
3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]
CID 57397049
5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57397050
1-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 57400492

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 71233518) is 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is CC(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)ccn2)c2cccnc23)cc1.
What is the InChIKey of 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is VLRMLLWQMMDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O2/c1-17(27)31-20-6-4-18(5-7-20)16-30-13-9-25(10-14-30)24-21(3-2-11-29-24)23(32-25)22-15-19(26)8-12-28-22/h2-8,11-12,15,17,23H,9-10,13-14,16H2,1H3.
What are the key properties of 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 453.95 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-pyridinyl)-1'-[[4-(1-fluoroethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 71233518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).