1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C24H23ClFN3O — CID 57402299

IUPAC1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1ccccc12
InChIInChI=1S/C24H23ClFN3O/c1-16(21-7-6-18(26)15-28-21)29-12-9-24(10-13-29)20-5-3-2-4-19(20)23(30-24)22-14-17(25)8-11-27-22/h2-8,11,14-16,23H,9-10,12-13H2,1H3
InChIKeyUMTQBBVFVBRUPB-UHFFFAOYSA-N
MW423.92 g/mol
LogP5.44
Rot. Bonds3

About 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]

1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 57402299) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID57402299
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1ccccc12
InChIInChI=1S/C24H23ClFN3O/c1-16(21-7-6-18(26)15-28-21)29-12-9-24(10-13-29)20-5-3-2-4-19(20)23(30-24)22-14-17(25)8-11-27-22/h2-8,11,14-16,23H,9-10,12-13H2,1H3
InChIKeyUMTQBBVFVBRUPB-UHFFFAOYSA-N
XLogP5.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzodihydroisofuran derivative 1
CID 54577783
Benzodihydroisofuran derivative 2
CID 57393568
1-(4-chloro-1-oxidopyridin-1-ium-2-yl)-1'-[5-(trifluoromethyl)pyridin-2-yl]sulfonylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 54577781
1-(4-chloro-1-oxidopyridin-1-ium-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 54577784
1-(3,5-dichlorophenyl)-1'-[[5-(trifluoromethyl)pyridin-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57393567
1-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402301
5-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57395279
5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57397050
5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57400493
1-(3,5-dichlorophenyl)-1'-[(5-pyrrolidin-1-yl-2-pyridinyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402296
1-(3,5-dichlorophenyl)-1'-[(5-fluoro-2-pyridinyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57404018
2-[5-(3,5-dichlorophenyl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]-2-phenylethanol
CID 57397051

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 57402299) is 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] is CC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1ccccc12.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is UMTQBBVFVBRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c1-16(21-7-6-18(26)15-28-21)29-12-9-24(10-13-29)20-5-3-2-4-19(20)23(30-24)22-14-17(25)8-11-27-22/h2-8,11,14-16,23H,9-10,12-13H2,1H3.
What are the key properties of 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 423.92 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 57402299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).