6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one

C45H47N9O4 — CID 158939455

IUPAC6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(-c3cn(C4CC4)cn3)ccc21.CC1(C)C(=O)Nc2cc(-c3cnn(C4CC4)c3)ccc21.Cc1nnc(-c2ccc3c(c2)NC(=O)C3(C)C)o1
InChIInChI=1S/2C16H17N3O.C13H13N3O2/c1-16(2)13-6-3-10(7-14(13)18-15(16)20)11-8-17-19(9-11)12-4-5-12;1-16(2)12-6-3-10(7-13(12)18-15(16)20)14-8-19(9-17-14)11-4-5-11;1-7-15-16-11(18-7)8-4-5-9-10(6-8)14-12(17)13(9,2)3/h3,6-9,12H,4-5H2,1-2H3,(H,18,20);3,6-9,11H,4-5H2,1-2H3,(H,18,20);4-6H,1-3H3,(H,14,17)
InChIKeyJKBIASHUTNAQOT-UHFFFAOYSA-N
MW777.93 g/mol
LogP8.50
Rot. Bonds5

About 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one

6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one (PubChem CID 158939455) has the molecular formula C45H47N9O4 and a molecular weight of 777.93 g/mol. Its IUPAC name is 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one
PubChem CID158939455
Molecular FormulaC45H47N9O4
Molecular Weight777.93 g/mol
Exact Mass777.38
IUPAC Name6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(-c3cn(C4CC4)cn3)ccc21.CC1(C)C(=O)Nc2cc(-c3cnn(C4CC4)c3)ccc21.Cc1nnc(-c2ccc3c(c2)NC(=O)C3(C)C)o1
InChIInChI=1S/2C16H17N3O.C13H13N3O2/c1-16(2)13-6-3-10(7-14(13)18-15(16)20)11-8-17-19(9-11)12-4-5-12;1-16(2)12-6-3-10(7-13(12)18-15(16)20)14-8-19(9-17-14)11-4-5-11;1-7-15-16-11(18-7)8-4-5-9-10(6-8)14-12(17)13(9,2)3/h3,6-9,12H,4-5H2,1-2H3,(H,18,20);3,6-9,11H,4-5H2,1-2H3,(H,18,20);4-6H,1-3H3,(H,14,17)
InChIKeyJKBIASHUTNAQOT-UHFFFAOYSA-N
XLogP8.50
TPSA161.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 58.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one with MolForge

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Related Compounds

5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722920
3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one
CID 157290182
1-Cyclopropyl-3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]indol-2-one;1-cyclopropyl-3,3-dimethyl-6-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]indol-2-one
CID 160791525
N-cyclopropyl-4-methyl-3-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]purin-9-yl]benzamide
CID 68529779
N-cyclopropyl-3-[6-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]purin-9-yl]-4-methylbenzamide
CID 68531988
1-(2-Hydroxyethyl)-3,3-dimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(4-pyridin-3-ylimidazol-1-yl)indol-2-one
CID 118526190
3,3-Dimethyl-6-(4-methylimidazol-1-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one
CID 118611607
1-Cyclopropyl-3,3-dimethyl-6-(4-pyridin-3-ylimidazol-1-yl)indol-2-one;3,3-dimethyl-6-[5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-(oxetan-3-yl)indol-2-one
CID 157906905
1,3-Dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one
CID 158084841
3,3-Dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(6-methyl-3-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one
CID 159542212
1-Cyclopropyl-6-(5-cyclopropylimidazol-1-yl)-3,3-dimethylindol-2-one;1-cyclopropyl-6-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylindol-2-one
CID 159723279
2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole
CID 159889671

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one?
The IUPAC name of 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one (CID 158939455) is 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one.
What is the SMILES notation for 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one?
The canonical SMILES for 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one is CC1(C)C(=O)Nc2cc(-c3cn(C4CC4)cn3)ccc21.CC1(C)C(=O)Nc2cc(-c3cnn(C4CC4)c3)ccc21.Cc1nnc(-c2ccc3c(c2)NC(=O)C3(C)C)o1.
What is the InChIKey of 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one?
The InChIKey is JKBIASHUTNAQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17N3O.C13H13N3O2/c1-16(2)13-6-3-10(7-14(13)18-15(16)20)11-8-17-19(9-11)12-4-5-12;1-16(2)12-6-3-10(7-13(12)18-15(16)20)14-8-19(9-17-14)11-4-5-11;1-7-15-16-11(18-7)8-4-5-9-10(6-8)14-12(17)13(9,2)3/h3,6-9,12H,4-5H2,1-2H3,(H,18,20);3,6-9,11H,4-5H2,1-2H3,(H,18,20);4-6H,1-3H3,(H,14,17).
What are the key properties of 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one?
6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one has a molecular weight of 777.93 g/mol, XLogP of 8.50, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylimidazol-4-yl)-3,3-dimethyl-1H-indol-2-one;6-(1-cyclopropylpyrazol-4-yl)-3,3-dimethyl-1H-indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-2-one is sourced from PubChem (CID 158939455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).