1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone

C17H15N3O — CID 60719171

IUPAC1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H15N3O/c1-11-8-12-4-2-3-5-16(12)20(11)17(21)13-6-7-14-10-18-19-15(14)9-13/h2-7,9-11H,8H2,1H3,(H,18,19)
InChIKeyAXRJVBJNGVTVRB-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.15
Rot. Bonds1

About 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone

1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 60719171) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID60719171
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H15N3O/c1-11-8-12-4-2-3-5-16(12)20(11)17(21)13-6-7-14-10-18-19-15(14)9-13/h2-7,9-11H,8H2,1H3,(H,18,19)
InChIKeyAXRJVBJNGVTVRB-UHFFFAOYSA-N
XLogP3.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 60719171) is 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is AXRJVBJNGVTVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-8-12-4-2-3-5-16(12)20(11)17(21)13-6-7-14-10-18-19-15(14)9-13/h2-7,9-11H,8H2,1H3,(H,18,19).
What are the key properties of 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone?
1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 277.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 60719171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).