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

C37H36N10O3 — CID 118611607

IUPAC3,3-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
SMILESCc1cn(-c2ccc3c(c2)N(c2cnc(C)nc2)C(=O)C3(C)C)cn1.Cc1ncc(N2C(=O)C(C)(C)c3ccc(-c4nnc(C)o4)cc32)cn1
InChIInChI=1S/C19H19N5O.C18H17N5O2/c1-12-10-23(11-22-12)14-5-6-16-17(7-14)24(18(25)19(16,3)4)15-8-20-13(2)21-9-15;1-10-19-8-13(9-20-10)23-15-7-12(16-22-21-11(2)25-16)5-6-14(15)18(3,4)17(23)24/h5-11H,1-4H3;5-9H,1-4H3
InChIKeyCMBHVXYZSXVRSY-UHFFFAOYSA-N
MW668.76 g/mol
LogP6.33
Rot. Bonds4

About 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

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 (PubChem CID 118611607) has the molecular formula C37H36N10O3 and a molecular weight of 668.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3-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
PubChem CID118611607
Molecular FormulaC37H36N10O3
Molecular Weight668.76 g/mol
Exact Mass668.30
IUPAC Name3,3-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
SMILESCc1cn(-c2ccc3c(c2)N(c2cnc(C)nc2)C(=O)C3(C)C)cn1.Cc1ncc(N2C(=O)C(C)(C)c3ccc(-c4nnc(C)o4)cc32)cn1
InChIInChI=1S/C19H19N5O.C18H17N5O2/c1-12-10-23(11-22-12)14-5-6-16-17(7-14)24(18(25)19(16,3)4)15-8-20-13(2)21-9-15;1-10-19-8-13(9-20-10)23-15-7-12(16-22-21-11(2)25-16)5-6-14(15)18(3,4)17(23)24/h5-11H,1-4H3;5-9H,1-4H3
InChIKeyCMBHVXYZSXVRSY-UHFFFAOYSA-N
XLogP6.33
TPSA148.92 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2ccc3c(c2)N(c2cnc(C)nc2)C(=O)C3(C)C)cn1.Cc1ncc(N2C(=O)C(C)(C)c3ccc(-c4nnc(C)o4)cc32)cn1.
What is the InChIKey of 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?
The InChIKey is CMBHVXYZSXVRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C18H17N5O2/c1-12-10-23(11-22-12)14-5-6-16-17(7-14)24(18(25)19(16,3)4)15-8-20-13(2)21-9-15;1-10-19-8-13(9-20-10)23-15-7-12(16-22-21-11(2)25-16)5-6-14(15)18(3,4)17(23)24/h5-11H,1-4H3;5-9H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 668.76 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118611607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).