3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one

C23H22N2O2 — CID 73353998

IUPAC3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3cccnc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C23H22N2O2/c1-22(2,3)15-10-11-20(26)18(13-15)23(16-7-6-12-24-14-16)17-8-4-5-9-19(17)25-21(23)27/h4-14,26H,1-3H3,(H,25,27)
InChIKeyUCLNLCZRVXWALN-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.37
Rot. Bonds2

About 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one

3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one (PubChem CID 73353998) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
PubChem CID73353998
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3cccnc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C23H22N2O2/c1-22(2,3)15-10-11-20(26)18(13-15)23(16-7-6-12-24-14-16)17-8-4-5-9-19(17)25-21(23)27/h4-14,26H,1-3H3,(H,25,27)
InChIKeyUCLNLCZRVXWALN-UHFFFAOYSA-N
XLogP4.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

GR-55562
CID 128018
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide
CID 24749373
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-phenylphenyl)acetamide
CID 24749374
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
CID 24818296
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 2965131
2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
CID 10667175
4-[3-Hydroxy-5-(pyridin-3-ylamino)phenyl]-1,3-dihydroindol-2-one
CID 15604182
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one
CID 25060814
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
CID 25061068
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4879890
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 17540194
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 17543573

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one?
The IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one (CID 73353998) is 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one.
What is the SMILES notation for 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one?
The canonical SMILES for 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one is CC(C)(C)c1ccc(O)c(C2(c3cccnc3)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one?
The InChIKey is UCLNLCZRVXWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-22(2,3)15-10-11-20(26)18(13-15)23(16-7-6-12-24-14-16)17-8-4-5-9-19(17)25-21(23)27/h4-14,26H,1-3H3,(H,25,27).
What are the key properties of 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one?
3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one has a molecular weight of 358.44 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one is sourced from PubChem (CID 73353998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).