7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one

C17H15N3O — CID 162528335

IUPAC7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one
SMILESCc1ccc(-c2ccc3cnn(C)c3c2)c2c1C(=O)NC2
InChIInChI=1S/C17H15N3O/c1-10-3-6-13(14-9-18-17(21)16(10)14)11-4-5-12-8-19-20(2)15(12)7-11/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyOYLZNSBAYQBJFR-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.79
Rot. Bonds1

About 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one

7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one (PubChem CID 162528335) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one
PubChem CID162528335
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one
SMILESCc1ccc(-c2ccc3cnn(C)c3c2)c2c1C(=O)NC2
InChIInChI=1S/C17H15N3O/c1-10-3-6-13(14-9-18-17(21)16(10)14)11-4-5-12-8-19-20(2)15(12)7-11/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyOYLZNSBAYQBJFR-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one (CID 162528335) is 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one is Cc1ccc(-c2ccc3cnn(C)c3c2)c2c1C(=O)NC2.
What is the InChIKey of 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is OYLZNSBAYQBJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-3-6-13(14-9-18-17(21)16(10)14)11-4-5-12-8-19-20(2)15(12)7-11/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one?
7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 277.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 162528335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).