2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one

C38H41N3O2Si — CID 152882144

IUPAC2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Cc2ccccc2)C1
InChIInChI=1S/C38H41N3O2Si/c1-37(2,3)44(29-16-10-6-11-17-29,30-18-12-7-13-19-30)43-26-38(4)24-32-35(33(42)25-38)31(22-27-14-8-5-9-15-27)36(41-32)28-20-21-40-34(39)23-28/h5-21,23,41H,22,24-26H2,1-4H3,(H2,39,40)
InChIKeyUBRMIBKFSBOXMF-UHFFFAOYSA-N
MW599.85 g/mol
LogP6.96
Rot. Bonds8

About 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one

2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one (PubChem CID 152882144) has the molecular formula C38H41N3O2Si and a molecular weight of 599.85 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one
PubChem CID152882144
Molecular FormulaC38H41N3O2Si
Molecular Weight599.85 g/mol
Exact Mass599.30
IUPAC Name2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one
SMILESCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Cc2ccccc2)C1
InChIInChI=1S/C38H41N3O2Si/c1-37(2,3)44(29-16-10-6-11-17-29,30-18-12-7-13-19-30)43-26-38(4)24-32-35(33(42)25-38)31(22-27-14-8-5-9-15-27)36(41-32)28-20-21-40-34(39)23-28/h5-21,23,41H,22,24-26H2,1-4H3,(H2,39,40)
InChIKeyUBRMIBKFSBOXMF-UHFFFAOYSA-N
XLogP6.96
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.85
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[(4-benzylphenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 149190220
4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-2-amine
CID 59295334
3-benzyl-2-[1-(3-hydroxypropyl)pyridin-1-ium-4-yl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one iodide
CID 161276453
3-[(3,5-dichlorophenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 147292718
(4aS,5aS)-3-benzyl-5a-methyl-2-pyridin-4-yl-1,4a,5,6-tetrahydrocyclopropa[f]indol-4-one
CID 159804901
3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 147354196
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 140892968
3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 158297042
3-benzyl-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 160571581
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide
CID 162012236
3-benzyl-2-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-N,6-dimethyl-4-oxo-N-propyl-5,7-dihydro-1H-indole-6-carboxamide
CID 153140168
N-[4-(3-benzyl-6-formyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]acetamide
CID 159115979

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one (CID 152882144) is 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one is CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Cc2ccccc2)C1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one?
The InChIKey is UBRMIBKFSBOXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N3O2Si/c1-37(2,3)44(29-16-10-6-11-17-29,30-18-12-7-13-19-30)43-26-38(4)24-32-35(33(42)25-38)31(22-27-14-8-5-9-15-27)36(41-32)28-20-21-40-34(39)23-28/h5-21,23,41H,22,24-26H2,1-4H3,(H2,39,40).
What are the key properties of 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one?
2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one has a molecular weight of 599.85 g/mol, XLogP of 6.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 152882144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).