6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one

C22H22N2O — CID 50741940

IUPAC6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)n(Cc3cccnc3)c2C1
InChIInChI=1S/C22H22N2O/c1-22(2)12-20-18(21(25)13-22)11-19(17-8-4-3-5-9-17)24(20)15-16-7-6-10-23-14-16/h3-11,14H,12-13,15H2,1-2H3
InChIKeyFOBKKQCXXVGXPF-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.75
Rot. Bonds3

About 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one

6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one (PubChem CID 50741940) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
PubChem CID50741940
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccccc3)n(Cc3cccnc3)c2C1
InChIInChI=1S/C22H22N2O/c1-22(2)12-20-18(21(25)13-22)11-19(17-8-4-3-5-9-17)24(20)15-16-7-6-10-23-14-16/h3-11,14H,12-13,15H2,1-2H3
InChIKeyFOBKKQCXXVGXPF-UHFFFAOYSA-N
XLogP4.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,6-trimethyl-1-(2-phenylethyl)-5,7-dihydroindol-4-one
CID 63464793
2-amino-1-benzyl-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
CID 141472503
7,7-dimethyl-2,5-dioxo-1-pyridin-3-yl-6,8-dihydroquinoline-3-carboxylic acid
CID 130447834
acetic acid;1-(4-chlorophenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindol-4-one
CID 163342661
7,7-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
CID 2008904
6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one
CID 114701766
1-(1H-imidazol-2-ylmethyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 64530762
1-(2-methoxyethyl)-7,7-dimethyl-3-(pyridin-3-ylmethyl)-2,4,6,8-tetrahydroquinazolin-5-one;hydrochloride
CID 21233565
6-anilino-2-phenyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
CID 139798980
2-methyl-1-(pyridin-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrrole-3-carboxylic acid
CID 56670245
3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
CID 66069619
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one (CID 50741940) is 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2cc(-c3ccccc3)n(Cc3cccnc3)c2C1.
What is the InChIKey of 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one?
The InChIKey is FOBKKQCXXVGXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-22(2)12-20-18(21(25)13-22)11-19(17-8-4-3-5-9-17)24(20)15-16-7-6-10-23-14-16/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one?
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one has a molecular weight of 330.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 50741940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).