5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C26H17F3N2O3 — CID 59263333

IUPAC5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1ccc(-c3ccncc3)cc12
InChIInChI=1S/C26H17F3N2O3/c27-26(28,29)23-8-6-18(34-23)14-31-21-4-2-1-3-19(21)25(24(31)32)15-33-22-7-5-17(13-20(22)25)16-9-11-30-12-10-16/h1-13H,14-15H2
InChIKeyPTSMRWZKDQIXPE-UHFFFAOYSA-N
MW462.43 g/mol
LogP5.59
Rot. Bonds3

About 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 59263333) has the molecular formula C26H17F3N2O3 and a molecular weight of 462.43 g/mol. Its IUPAC name is 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID59263333
Molecular FormulaC26H17F3N2O3
Molecular Weight462.43 g/mol
Exact Mass462.12
IUPAC Name5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1ccc(-c3ccncc3)cc12
InChIInChI=1S/C26H17F3N2O3/c27-26(28,29)23-8-6-18(34-23)14-31-21-4-2-1-3-19(21)25(24(31)32)15-33-22-7-5-17(13-20(22)25)16-9-11-30-12-10-16/h1-13H,14-15H2
InChIKeyPTSMRWZKDQIXPE-UHFFFAOYSA-N
XLogP5.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11754694
4-[(6-{2-[2-(1-Pyrrolidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274481
5-methoxy-1'((5-(trifluoromethyl)furan-2-yl)methyl)-2H-spiro[furo[3,2-b]pyridine-3,3'-indolin]-2'-one
CID 25064916
5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[2,3-c]pyridine-3,3'-indole]-2'-one
CID 25065529
5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352142
5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352254
6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)pyridin-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
CID 59352188
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone
CID 53259456
1-(2-Ethoxyethyl)-3-{1-[2-(trifluoromethoxy)benzoyl]piperidin-4-YL}-1H-indole
CID 46090005
4'-(6-methoxypyridin-3-yl)-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1H)-one
CID 11998074
2-[6-ethoxy-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 20763798
5-methoxy-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[furo[3,2-b]pyridine-3,3'-indol]-2'(1'H)-one 4-oxide
CID 25064919

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 59263333) is 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1ccc(-c3ccncc3)cc12.
What is the InChIKey of 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is PTSMRWZKDQIXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N2O3/c27-26(28,29)23-8-6-18(34-23)14-31-21-4-2-1-3-19(21)25(24(31)32)15-33-22-7-5-17(13-20(22)25)16-9-11-30-12-10-16/h1-13H,14-15H2.
What are the key properties of 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 462.43 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 59263333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).