6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one

C26H28N2O3 — CID 161421967

IUPAC6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2cccc(C3(C)OCCO3)c2)C1
InChIInChI=1S/C26H28N2O3/c1-25(2)15-21-23(22(29)16-25)20(24(28-21)18-7-9-27-10-8-18)14-17-5-4-6-19(13-17)26(3)30-11-12-31-26/h4-10,13,28H,11-12,14-16H2,1-3H3
InChIKeyVWVUABVNGIUEIH-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.04
Rot. Bonds4

About 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one

6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one (PubChem CID 161421967) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
PubChem CID161421967
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2cccc(C3(C)OCCO3)c2)C1
InChIInChI=1S/C26H28N2O3/c1-25(2)15-21-23(22(29)16-25)20(24(28-21)18-7-9-27-10-8-18)14-17-5-4-6-19(13-17)26(3)30-11-12-31-26/h4-10,13,28H,11-12,14-16H2,1-3H3
InChIKeyVWVUABVNGIUEIH-UHFFFAOYSA-N
XLogP5.04
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-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

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
2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 159242491
3-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 159755912
2-[(6,6-dimethyl-4-oxo-2-pyridin-4-yl-5,7-dihydro-1H-indol-3-yl)methyl]benzamide
CID 148941645
3-(3-benzylanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118613477
(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
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
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-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118606985

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one (CID 161421967) is 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one is CC1(C)CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2cccc(C3(C)OCCO3)c2)C1.
What is the InChIKey of 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?
The InChIKey is VWVUABVNGIUEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-25(2)15-21-23(22(29)16-25)20(24(28-21)18-7-9-27-10-8-18)14-17-5-4-6-19(13-17)26(3)30-11-12-31-26/h4-10,13,28H,11-12,14-16H2,1-3H3.
What are the key properties of 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?
6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one has a molecular weight of 416.52 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 161421967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).