2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide

C17H15N3O3 — CID 118017954

IUPAC2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide
SMILESCC1(C)Oc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2O1
InChIInChI=1S/C17H15N3O3/c1-17(2)22-13-7-6-11(8-14(13)23-17)20-9-10-4-3-5-12(16(18)21)15(10)19-20/h3-9H,1-2H3,(H2,18,21)
InChIKeyCAEVNYFUMBLOMQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.63
Rot. Bonds2

About 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide

2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide (PubChem CID 118017954) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide
PubChem CID118017954
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide
SMILESCC1(C)Oc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2O1
InChIInChI=1S/C17H15N3O3/c1-17(2)22-13-7-6-11(8-14(13)23-17)20-9-10-4-3-5-12(16(18)21)15(10)19-20/h3-9H,1-2H3,(H2,18,21)
InChIKeyCAEVNYFUMBLOMQ-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide?
The IUPAC name of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide (CID 118017954) is 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide?
The canonical SMILES for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide is CC1(C)Oc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide?
The InChIKey is CAEVNYFUMBLOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-17(2)22-13-7-6-11(8-14(13)23-17)20-9-10-4-3-5-12(16(18)21)15(10)19-20/h3-9H,1-2H3,(H2,18,21).
What are the key properties of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide?
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide is sourced from PubChem (CID 118017954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).