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

C37H40N6O3 — CID 159723279

IUPAC1-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
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C4CC4)o3)ccc21.CC1(C)C(=O)N(C2CC2)c2cc(-n3cncc3C3CC3)ccc21
InChIInChI=1S/C19H21N3O.C18H19N3O2/c1-19(2)15-8-7-14(21-11-20-10-17(21)12-3-4-12)9-16(15)22(18(19)23)13-5-6-13;1-18(2)13-8-5-11(16-20-19-15(23-16)10-3-4-10)9-14(13)21(17(18)22)12-6-7-12/h7-13H,3-6H2,1-2H3;5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyNAHVHNQCRSBRSK-UHFFFAOYSA-N
MW616.77 g/mol
LogP6.94
Rot. Bonds6

About 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

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 (PubChem CID 159723279) has the molecular formula C37H40N6O3 and a molecular weight of 616.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159723279
Molecular FormulaC37H40N6O3
Molecular Weight616.77 g/mol
Exact Mass616.32
IUPAC Name1-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
SMILESCC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C4CC4)o3)ccc21.CC1(C)C(=O)N(C2CC2)c2cc(-n3cncc3C3CC3)ccc21
InChIInChI=1S/C19H21N3O.C18H19N3O2/c1-19(2)15-8-7-14(21-11-20-10-17(21)12-3-4-12)9-16(15)22(18(19)23)13-5-6-13;1-18(2)13-8-5-11(16-20-19-15(23-16)10-3-4-10)9-14(13)21(17(18)22)12-6-7-12/h7-13H,3-6H2,1-2H3;5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyNAHVHNQCRSBRSK-UHFFFAOYSA-N
XLogP6.94
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
3,3-dimethyl-6-[4-(trifluoromethyl)imidazol-1-yl]-1H-indol-2-one;6-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethyl-1H-indol-2-one
CID 159822240
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
1-Cyclopropyl-3,3-dimethyl-6-[5-(2-methyl-4-pyridinyl)-1,3-oxazol-2-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylimidazol-1-yl)indol-2-one
CID 118526036
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-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one
CID 118611496
3,3-Dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one
CID 118611512
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
2-[3-(3-Methylimidazol-3-ium-1-yl)-4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 123564451
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
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
1-Cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one
CID 159090239

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C4CC4)o3)ccc21.CC1(C)C(=O)N(C2CC2)c2cc(-n3cncc3C3CC3)ccc21.
What is the InChIKey of 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?
The InChIKey is NAHVHNQCRSBRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.C18H19N3O2/c1-19(2)15-8-7-14(21-11-20-10-17(21)12-3-4-12)9-16(15)22(18(19)23)13-5-6-13;1-18(2)13-8-5-11(16-20-19-15(23-16)10-3-4-10)9-14(13)21(17(18)22)12-6-7-12/h7-13H,3-6H2,1-2H3;5,8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 616.77 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159723279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).