3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one

C59H60N14O3 — CID 118611545

IUPAC3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ccc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cc(C)n(C)n2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2ccn(C)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C20H21N5O.C20H20N4O.C19H19N5O/c1-12-8-18(23-24(12)5)25-17-9-14(15-10-21-13(2)22-11-15)6-7-16(17)20(3,4)19(25)26;1-13-5-6-15(10-21-13)14-7-8-16-17(9-14)24(19(25)20(16,2)3)18-11-23(4)12-22-18;1-12-20-10-14(11-21-12)13-5-6-15-16(9-13)24(18(25)19(15,2)3)17-7-8-23(4)22-17/h6-11H,1-5H3;5-12H,1-4H3;5-11H,1-4H3
InChIKeyIEUMQPKJBUQHID-UHFFFAOYSA-N
MW1013.22 g/mol
LogP10.34
Rot. Bonds6

About 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one

3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one (PubChem CID 118611545) has the molecular formula C59H60N14O3 and a molecular weight of 1013.22 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
PubChem CID118611545
Molecular FormulaC59H60N14O3
Molecular Weight1013.22 g/mol
Exact Mass1012.50
IUPAC Name3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ccc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cc(C)n(C)n2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2ccn(C)n2)C(=O)C3(C)C)cn1
InChIInChI=1S/C20H21N5O.C20H20N4O.C19H19N5O/c1-12-8-18(23-24(12)5)25-17-9-14(15-10-21-13(2)22-11-15)6-7-16(17)20(3,4)19(25)26;1-13-5-6-15(10-21-13)14-7-8-16-17(9-14)24(19(25)20(16,2)3)18-11-23(4)12-22-18;1-12-20-10-14(11-21-12)13-5-6-15-16(9-13)24(18(25)19(15,2)3)17-7-8-23(4)22-17/h6-11H,1-5H3;5-12H,1-4H3;5-11H,1-4H3
InChIKeyIEUMQPKJBUQHID-UHFFFAOYSA-N
XLogP10.34
TPSA178.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.22
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(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-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one (CID 118611545) is 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one is Cc1ccc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2cc(C)n(C)n2)C(=O)C3(C)C)cn1.Cc1ncc(-c2ccc3c(c2)N(c2ccn(C)n2)C(=O)C3(C)C)cn1.
What is the InChIKey of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The InChIKey is IEUMQPKJBUQHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.C20H20N4O.C19H19N5O/c1-12-8-18(23-24(12)5)25-17-9-14(15-10-21-13(2)22-11-15)6-7-16(17)20(3,4)19(25)26;1-13-5-6-15(10-21-13)14-7-8-16-17(9-14)24(19(25)20(16,2)3)18-11-23(4)12-22-18;1-12-20-10-14(11-21-12)13-5-6-15-16(9-13)24(18(25)19(15,2)3)17-7-8-23(4)22-17/h6-11H,1-5H3;5-12H,1-4H3;5-11H,1-4H3.
What are the key properties of 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one has a molecular weight of 1013.22 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(6-methyl-3-pyridinyl)indol-2-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)-6-(2-methylpyrimidin-5-yl)indol-2-one;1-(1,5-dimethylpyrazol-3-yl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one is sourced from PubChem (CID 118611545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).