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

C24H26N2O2 — CID 147354196

IUPAC3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
SMILESCCOc1cnccc1-c1[nH]c2c(c1Cc1ccccc1)C(=O)CC(C)(C)C2
InChIInChI=1S/C24H26N2O2/c1-4-28-21-15-25-11-10-17(21)23-18(12-16-8-6-5-7-9-16)22-19(26-23)13-24(2,3)14-20(22)27/h5-11,15,26H,4,12-14H2,1-3H3
InChIKeyDFZPFBVVDYONRU-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.22
Rot. Bonds5

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

3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one (PubChem CID 147354196) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
PubChem CID147354196
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
SMILESCCOc1cnccc1-c1[nH]c2c(c1Cc1ccccc1)C(=O)CC(C)(C)C2
InChIInChI=1S/C24H26N2O2/c1-4-28-21-15-25-11-10-17(21)23-18(12-16-8-6-5-7-9-16)22-19(26-23)13-24(2,3)14-20(22)27/h5-11,15,26H,4,12-14H2,1-3H3
InChIKeyDFZPFBVVDYONRU-UHFFFAOYSA-N
XLogP5.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-benzyl-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 160571581
3-[(4-benzylphenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 149190220
2-(2-amino-4-pyridinyl)-3-benzyl-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 159242491
methyl 3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 159503468
3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 148749410
3-[(3,5-dichlorophenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 147292718
3-benzyl-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 158794747
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
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-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
CID 118607239
3-anilino-2-(3-bromo-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 118607035
3-(3-benzylanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118613477

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The IUPAC name of 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one (CID 147354196) is 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The canonical SMILES for 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one is CCOc1cnccc1-c1[nH]c2c(c1Cc1ccccc1)C(=O)CC(C)(C)C2.
What is the InChIKey of 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
The InChIKey is DFZPFBVVDYONRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-28-21-15-25-11-10-17(21)23-18(12-16-8-6-5-7-9-16)22-19(26-23)13-24(2,3)14-20(22)27/h5-11,15,26H,4,12-14H2,1-3H3.
What are the key properties of 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one?
3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one has a molecular weight of 374.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(3-ethoxy-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 147354196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).