5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C24H22Cl2FN3O — CID 57397050

IUPAC5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C24H22Cl2FN3O/c1-15(21-5-4-19(27)14-29-21)30-9-6-24(7-10-30)23-20(3-2-8-28-23)22(31-24)16-11-17(25)13-18(26)12-16/h2-5,8,11-15,22H,6-7,9-10H2,1H3
InChIKeyBETJLGYOGFLSBM-UHFFFAOYSA-N
MW458.36 g/mol
LogP6.09
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 57397050) has the molecular formula C24H22Cl2FN3O and a molecular weight of 458.36 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID57397050
Molecular FormulaC24H22Cl2FN3O
Molecular Weight458.36 g/mol
Exact Mass457.11
IUPAC Name5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C24H22Cl2FN3O/c1-15(21-5-4-19(27)14-29-21)30-9-6-24(7-10-30)23-20(3-2-8-28-23)22(31-24)16-11-17(25)13-18(26)12-16/h2-5,8,11-15,22H,6-7,9-10H2,1H3
InChIKeyBETJLGYOGFLSBM-UHFFFAOYSA-N
XLogP6.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 57397050) is 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is CC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12.
What is the InChIKey of 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is BETJLGYOGFLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O/c1-15(21-5-4-19(27)14-29-21)30-9-6-24(7-10-30)23-20(3-2-8-28-23)22(31-24)16-11-17(25)13-18(26)12-16/h2-5,8,11-15,22H,6-7,9-10H2,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 458.36 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 57397050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).