3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one

C22H24N4O — CID 71540145

IUPAC3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one
SMILESCN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21
InChIInChI=1S/C22H24N4O/c1-22(24(2)3)19-7-5-6-8-20(19)26(21(22)27)14-16-9-11-17(12-10-16)18-13-23-25(4)15-18/h5-13,15H,14H2,1-4H3
InChIKeyANNXYPIRHNJRME-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.41
Rot. Bonds4

About 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one

3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one (PubChem CID 71540145) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one
PubChem CID71540145
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one
SMILESCN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21
InChIInChI=1S/C22H24N4O/c1-22(24(2)3)19-7-5-6-8-20(19)26(21(22)27)14-16-9-11-17(12-10-16)18-13-23-25(4)15-18/h5-13,15H,14H2,1-4H3
InChIKeyANNXYPIRHNJRME-UHFFFAOYSA-N
XLogP3.41
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one (CID 71540145) is 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one is CN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one?
The InChIKey is ANNXYPIRHNJRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(24(2)3)19-7-5-6-8-20(19)26(21(22)27)14-16-9-11-17(12-10-16)18-13-23-25(4)15-18/h5-13,15H,14H2,1-4H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one?
3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one has a molecular weight of 360.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one is sourced from PubChem (CID 71540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).