1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one

C23H30N2O — CID 58270957

IUPAC1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1cccnc1
InChIInChI=1S/C23H30N2O/c1-16-11-22-20(8-10-25(22)15-18-7-6-9-24-14-18)17(2)21(16)12-19(26)13-23(3,4)5/h6-7,9,11,14H,8,10,12-13,15H2,1-5H3
InChIKeyFVNMWICPIFQDEL-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.81
Rot. Bonds5

About 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one

1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one (PubChem CID 58270957) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
PubChem CID58270957
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
SMILESCc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1cccnc1
InChIInChI=1S/C23H30N2O/c1-16-11-22-20(8-10-25(22)15-18-7-6-9-24-14-18)17(2)21(16)12-19(26)13-23(3,4)5/h6-7,9,11,14H,8,10,12-13,15H2,1-5H3
InChIKeyFVNMWICPIFQDEL-UHFFFAOYSA-N
XLogP4.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one (CID 58270957) is 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one is Cc1cc2c(c(C)c1CC(=O)CC(C)(C)C)CCN2Cc1cccnc1.
What is the InChIKey of 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
The InChIKey is FVNMWICPIFQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16-11-22-20(8-10-25(22)15-18-7-6-9-24-14-18)17(2)21(16)12-19(26)13-23(3,4)5/h6-7,9,11,14H,8,10,12-13,15H2,1-5H3.
What are the key properties of 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one?
1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one has a molecular weight of 350.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 58270957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).