2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C22H25FN2O2 — CID 126699271

IUPAC2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCCc1ccc(-c2ccc3c(n2)C2(CCN(C4COC4)CC2)OC3)cc1F
InChIInChI=1S/C22H25FN2O2/c1-2-15-3-4-16(11-19(15)23)20-6-5-17-12-27-22(21(17)24-20)7-9-25(10-8-22)18-13-26-14-18/h3-6,11,18H,2,7-10,12-14H2,1H3
InChIKeyYGNVLUMWHYKHLB-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 126699271) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID126699271
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCCc1ccc(-c2ccc3c(n2)C2(CCN(C4COC4)CC2)OC3)cc1F
InChIInChI=1S/C22H25FN2O2/c1-2-15-3-4-16(11-19(15)23)20-6-5-17-12-27-22(21(17)24-20)7-9-25(10-8-22)18-13-26-14-18/h3-6,11,18H,2,7-10,12-14H2,1H3
InChIKeyYGNVLUMWHYKHLB-UHFFFAOYSA-N
XLogP3.67
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 126699271) is 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is CCc1ccc(-c2ccc3c(n2)C2(CCN(C4COC4)CC2)OC3)cc1F.
What is the InChIKey of 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is YGNVLUMWHYKHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-2-15-3-4-16(11-19(15)23)20-6-5-17-12-27-22(21(17)24-20)7-9-25(10-8-22)18-13-26-14-18/h3-6,11,18H,2,7-10,12-14H2,1H3.
What are the key properties of 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 368.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-fluorophenyl)-1'-(oxetan-3-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 126699271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).