3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one

C41H42N8O3 — CID 162246907

IUPAC3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one
SMILESCc1cc(N2C(=O)C(C)(C)c3ccc(-c4nnc(C)o4)cc32)ccn1.Cc1cc(N2C(=O)C(C)(C)c3ccc(-n4cnc(C(C)C)c4)cc32)ccn1
InChIInChI=1S/C22H24N4O.C19H18N4O2/c1-14(2)19-12-25(13-24-19)16-6-7-18-20(11-16)26(21(27)22(18,4)5)17-8-9-23-15(3)10-17;1-11-9-14(7-8-20-11)23-16-10-13(17-22-21-12(2)25-17)5-6-15(16)19(3,4)18(23)24/h6-14H,1-5H3;5-10H,1-4H3
InChIKeyZXLPLQJHGKSGEE-UHFFFAOYSA-N
MW694.84 g/mol
LogP8.36
Rot. Bonds5

About 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one

3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one (PubChem CID 162246907) has the molecular formula C41H42N8O3 and a molecular weight of 694.84 g/mol. Its IUPAC name is 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one
PubChem CID162246907
Molecular FormulaC41H42N8O3
Molecular Weight694.84 g/mol
Exact Mass694.34
IUPAC Name3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one
SMILESCc1cc(N2C(=O)C(C)(C)c3ccc(-c4nnc(C)o4)cc32)ccn1.Cc1cc(N2C(=O)C(C)(C)c3ccc(-n4cnc(C(C)C)c4)cc32)ccn1
InChIInChI=1S/C22H24N4O.C19H18N4O2/c1-14(2)19-12-25(13-24-19)16-6-7-18-20(11-16)26(21(27)22(18,4)5)17-8-9-23-15(3)10-17;1-11-9-14(7-8-20-11)23-16-10-13(17-22-21-12(2)25-17)5-6-15(16)19(3,4)18(23)24/h6-14H,1-5H3;5-10H,1-4H3
InChIKeyZXLPLQJHGKSGEE-UHFFFAOYSA-N
XLogP8.36
TPSA123.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one with MolForge

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Related Compounds

N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164608966
N-methyl-N-[[3-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-6-yl]methyl]-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164614228
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722920
US10112944, Example 16
CID 122540220
US20240025892, Example 56
CID 170673726
2-[6-(5-Methyl-1,3,4-oxadiazol-2-YL)-1H-indol-1-YL]-1-[4-(pyrimidin-2-YL)piperazin-1-YL]ethan-1-one
CID 53013383
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157163912
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
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]purin-8-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157371199
16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one (CID 162246907) is 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one is Cc1cc(N2C(=O)C(C)(C)c3ccc(-c4nnc(C)o4)cc32)ccn1.Cc1cc(N2C(=O)C(C)(C)c3ccc(-n4cnc(C(C)C)c4)cc32)ccn1.
What is the InChIKey of 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one?
The InChIKey is ZXLPLQJHGKSGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.C19H18N4O2/c1-14(2)19-12-25(13-24-19)16-6-7-18-20(11-16)26(21(27)22(18,4)5)17-8-9-23-15(3)10-17;1-11-9-14(7-8-20-11)23-16-10-13(17-22-21-12(2)25-17)5-6-15(16)19(3,4)18(23)24/h6-14H,1-5H3;5-10H,1-4H3.
What are the key properties of 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one?
3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one has a molecular weight of 694.84 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methyl-4-pyridinyl)indol-2-one;3,3-dimethyl-1-(2-methyl-4-pyridinyl)-6-(4-propan-2-ylimidazol-1-yl)indol-2-one is sourced from PubChem (CID 162246907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).