2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one

C22H23N3O — CID 159242491

IUPAC2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Cc2ccccc2)C1
InChIInChI=1S/C22H23N3O/c1-22(2)12-17-20(18(26)13-22)16(10-14-6-4-3-5-7-14)21(25-17)15-8-9-24-19(23)11-15/h3-9,11,25H,10,12-13H2,1-2H3,(H2,23,24)
InChIKeyKUGOSZHYSIYILS-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.40
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one

2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one (PubChem CID 159242491) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
PubChem CID159242491
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Cc2ccccc2)C1
InChIInChI=1S/C22H23N3O/c1-22(2)12-17-20(18(26)13-22)16(10-14-6-4-3-5-7-14)21(25-17)15-8-9-24-19(23)11-15/h3-9,11,25H,10,12-13H2,1-2H3,(H2,23,24)
InChIKeyKUGOSZHYSIYILS-UHFFFAOYSA-N
XLogP4.40
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-4-pyridinyl)-3-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methyl-5,7-dihydro-1H-indol-4-one
CID 152882144
3-[(4-benzylphenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 149190220
3-[(3,5-dichlorophenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 147292718
3-benzyl-2-[1-(3-hydroxypropyl)pyridin-1-ium-4-yl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one iodide
CID 161276453
1-benzyl-N-[4-(3-benzyl-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 149463304
3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 147354196
3-benzyl-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 160571581
2-[(6,6-dimethyl-4-oxo-2-pyridin-4-yl-5,7-dihydro-1H-indol-3-yl)methyl]benzamide
CID 148941645
(4aS,5aS)-3-benzyl-5a-methyl-2-pyridin-4-yl-1,4a,5,6-tetrahydrocyclopropa[f]indol-4-one
CID 159804901
3-(3-benzylanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118613477
3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 158297042
3-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 159755912

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one (CID 159242491) is 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one is CC1(C)CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Cc2ccccc2)C1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The InChIKey is KUGOSZHYSIYILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-22(2)12-17-20(18(26)13-22)16(10-14-6-4-3-5-7-14)21(25-17)15-8-9-24-19(23)11-15/h3-9,11,25H,10,12-13H2,1-2H3,(H2,23,24).
What are the key properties of 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one has a molecular weight of 345.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 159242491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).