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

C24H21ClF3N3O2 — CID 57395279

IUPAC5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESFC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)ccn2)c2cccnc23)cc1
InChIInChI=1S/C24H21ClF3N3O2/c25-17-7-11-29-20(14-17)21-19-2-1-10-30-22(19)23(33-21)8-12-31(13-9-23)15-16-3-5-18(6-4-16)32-24(26,27)28/h1-7,10-11,14,21H,8-9,12-13,15H2
InChIKeyQJAHKJMEFFSZQQ-UHFFFAOYSA-N
MW475.90 g/mol
LogP5.64
Rot. Bonds4

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

5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 57395279) has the molecular formula C24H21ClF3N3O2 and a molecular weight of 475.90 g/mol. Its IUPAC name is 5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID57395279
Molecular FormulaC24H21ClF3N3O2
Molecular Weight475.90 g/mol
Exact Mass475.13
IUPAC Name5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESFC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)ccn2)c2cccnc23)cc1
InChIInChI=1S/C24H21ClF3N3O2/c25-17-7-11-29-20(14-17)21-19-2-1-10-30-22(19)23(33-21)8-12-31(13-9-23)15-16-3-5-18(6-4-16)32-24(26,27)28/h1-7,10-11,14,21H,8-9,12-13,15H2
InChIKeyQJAHKJMEFFSZQQ-UHFFFAOYSA-N
XLogP5.64
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.90
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 57395279) is 5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cc(Cl)ccn2)c2cccnc23)cc1.
What is the InChIKey of 5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is QJAHKJMEFFSZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O2/c25-17-7-11-29-20(14-17)21-19-2-1-10-30-22(19)23(33-21)8-12-31(13-9-23)15-16-3-5-18(6-4-16)32-24(26,27)28/h1-7,10-11,14,21H,8-9,12-13,15H2.
What are the key properties of 5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
5-(4-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 475.90 g/mol, XLogP of 5.64, 4 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-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 57395279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).