1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

C23H22FN3O — CID 71233567

IUPAC1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OC(c2ccccn2)c2ccccc23)nc1
InChIInChI=1S/C23H22FN3O/c24-17-8-9-18(26-15-17)16-27-13-10-23(11-14-27)20-6-2-1-5-19(20)22(28-23)21-7-3-4-12-25-21/h1-9,12,15,22H,10-11,13-14,16H2
InChIKeyCFAGIJAEMITGRM-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.23
Rot. Bonds3

About 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 71233567) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID71233567
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc(CN2CCC3(CC2)OC(c2ccccn2)c2ccccc23)nc1
InChIInChI=1S/C23H22FN3O/c24-17-8-9-18(26-15-17)16-27-13-10-23(11-14-27)20-6-2-1-5-19(20)22(28-23)21-7-3-4-12-25-21/h1-9,12,15,22H,10-11,13-14,16H2
InChIKeyCFAGIJAEMITGRM-UHFFFAOYSA-N
XLogP4.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

Doxylamine
CID 3162
Siramesine
CID 9829526
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
(NZ)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 24762415
(Z)-1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]-N-methoxymethanimine
CID 45487668
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanimine
CID 45487671
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]methanimine
CID 45487674
1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402299
2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 14789984
2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176172
(NE)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 44555375
5-(3,5-dichlorophenyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57397050

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 71233567) is 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc(CN2CCC3(CC2)OC(c2ccccn2)c2ccccc23)nc1.
What is the InChIKey of 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is CFAGIJAEMITGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-17-8-9-18(26-15-17)16-27-13-10-23(11-14-27)20-6-2-1-5-19(20)22(28-23)21-7-3-4-12-25-21/h1-9,12,15,22H,10-11,13-14,16H2.
What are the key properties of 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 375.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 71233567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).