3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one

C23H25N3O2 — CID 118607013

IUPAC3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2c(Nc3ccccc3)c(-c3ccncc3)n(CCO)c2C1
InChIInChI=1S/C23H25N3O2/c1-23(2)14-18-20(19(28)15-23)21(25-17-6-4-3-5-7-17)22(26(18)12-13-27)16-8-10-24-11-9-16/h3-11,25,27H,12-15H2,1-2H3
InChIKeyPATAXIXTOSGLDK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.44
Rot. Bonds5

About 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one

3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one (PubChem CID 118607013) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one
PubChem CID118607013
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2c(Nc3ccccc3)c(-c3ccncc3)n(CCO)c2C1
InChIInChI=1S/C23H25N3O2/c1-23(2)14-18-20(19(28)15-23)21(25-17-6-4-3-5-7-17)22(26(18)12-13-27)16-8-10-24-11-9-16/h3-11,25,27H,12-15H2,1-2H3
InChIKeyPATAXIXTOSGLDK-UHFFFAOYSA-N
XLogP4.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-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

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one?
The IUPAC name of 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one (CID 118607013) is 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one.
What is the SMILES notation for 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one?
The canonical SMILES for 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2c(Nc3ccccc3)c(-c3ccncc3)n(CCO)c2C1.
What is the InChIKey of 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one?
The InChIKey is PATAXIXTOSGLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2)14-18-20(19(28)15-23)21(25-17-6-4-3-5-7-17)22(26(18)12-13-27)16-8-10-24-11-9-16/h3-11,25,27H,12-15H2,1-2H3.
What are the key properties of 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one?
3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one has a molecular weight of 375.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one is sourced from PubChem (CID 118607013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).