3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

C36H37N3O2Si — CID 140892969

IUPAC3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCC(C)(C)[Si](OCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37N3O2Si/c1-36(2,3)42(29-15-9-5-10-16-29,30-17-11-6-12-18-30)41-25-26-23-31-33(32(40)24-26)35(38-28-13-7-4-8-14-28)34(39-31)27-19-21-37-22-20-27/h4-22,26,38-39H,23-25H2,1-3H3
InChIKeyCOEPEBJYCPRESW-UHFFFAOYSA-N
MW571.80 g/mol
LogP7.14
Rot. Bonds8

About 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 140892969) has the molecular formula C36H37N3O2Si and a molecular weight of 571.80 g/mol. Its IUPAC name is 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
PubChem CID140892969
Molecular FormulaC36H37N3O2Si
Molecular Weight571.80 g/mol
Exact Mass571.27
IUPAC Name3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCC(C)(C)[Si](OCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37N3O2Si/c1-36(2,3)42(29-15-9-5-10-16-29,30-17-11-6-12-18-30)41-25-26-23-31-33(32(40)24-26)35(38-28-13-7-4-8-14-28)34(39-31)27-19-21-37-22-20-27/h4-22,26,38-39H,23-25H2,1-3H3
InChIKeyCOEPEBJYCPRESW-UHFFFAOYSA-N
XLogP7.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.80
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]propanamide
CID 134563216
[3-anilino-2-[2-(methanesulfonamido)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindol-6-yl]methyl methanesulfonate
CID 134582079
3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one
CID 118606900
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582015
2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582000
N-[4-[3-anilino-6-(4-hydroxybutyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide
CID 146516114
3-(3-benzylanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118613477
6,6-dimethyl-3-(3-phenoxyanilino)-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607314
methyl 3-(3-fluoroanilino)-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxylate
CID 146516174
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
3-[(6,6-dimethyl-4-oxo-2-pyridin-4-yl-5,7-dihydro-1H-indol-3-yl)amino]benzonitrile
CID 118606824

Frequently Asked Questions

What is the IUPAC name of 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (CID 140892969) is 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is CC(C)(C)[Si](OCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Nc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is COEPEBJYCPRESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O2Si/c1-36(2,3)42(29-15-9-5-10-16-29,30-17-11-6-12-18-30)41-25-26-23-31-33(32(40)24-26)35(38-28-13-7-4-8-14-28)34(39-31)27-19-21-37-22-20-27/h4-22,26,38-39H,23-25H2,1-3H3.
What are the key properties of 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 571.80 g/mol, XLogP of 7.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 140892969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).