5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C21H14F2N2O2 — CID 59352142

IUPAC5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccn2)c2ccccc2C12COc1cc(F)c(F)cc12
InChIInChI=1S/C21H14F2N2O2/c22-16-9-15-19(10-17(16)23)27-12-21(15)14-6-1-2-7-18(14)25(20(21)26)11-13-5-3-4-8-24-13/h1-10H,11-12H2
InChIKeyMYQDQFCMCMXVDJ-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.59
Rot. Bonds2

About 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one

5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59352142) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59352142
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC Name5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccn2)c2ccccc2C12COc1cc(F)c(F)cc12
InChIInChI=1S/C21H14F2N2O2/c22-16-9-15-19(10-17(16)23)27-12-21(15)14-6-1-2-7-18(14)25(20(21)26)11-13-5-3-4-8-24-13/h1-10H,11-12H2
InChIKeyMYQDQFCMCMXVDJ-UHFFFAOYSA-N
XLogP3.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Glucosylceramide synthase-IN-1
CID 155595464
7-Fluoro-4-{2-[3-(1H-indol-3-yl)-propylamino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10618968
2-(4-fluorophenyl)-4-(2-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595321
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405299
4-[2-(2,2-difluoroethoxy)phenyl]-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405361
4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-N,N-dimethylbenzamide
CID 163405364
2-[4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]phenyl]-2-methylpropanenitrile
CID 163405370
2-[4-(2-hydroxypropan-2-yl)phenyl]-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405373
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2H-1-benzofuran-3,4'-piperidine]
CID 10434120
2-(4-fluorophenyl)-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166631496
4-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595352
5-methoxy-1'-(pyridin-2-ylmethyl)spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one
CID 25065329

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59352142) is 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is O=C1N(Cc2ccccn2)c2ccccc2C12COc1cc(F)c(F)cc12.
What is the InChIKey of 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is MYQDQFCMCMXVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c22-16-9-15-19(10-17(16)23)27-12-21(15)14-6-1-2-7-18(14)25(20(21)26)11-13-5-3-4-8-24-13/h1-10H,11-12H2.
What are the key properties of 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 364.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59352142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).