1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide

C19H22N4O4S — CID 155511848

IUPAC1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
SMILESCC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(C)(=O)=O)ccc23)cn1
InChIInChI=1S/C19H22N4O4S/c1-12(2)11-27-17-8-6-14(10-20-17)18-15-7-5-13(9-16(15)23(3)21-18)19(24)22-28(4,25)26/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyNRMRBIFNVWTRMX-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.36
Rot. Bonds6

About 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide

1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide (PubChem CID 155511848) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
PubChem CID155511848
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide
SMILESCC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(C)(=O)=O)ccc23)cn1
InChIInChI=1S/C19H22N4O4S/c1-12(2)11-27-17-8-6-14(10-20-17)18-15-7-5-13(9-16(15)23(3)21-18)19(24)22-28(4,25)26/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyNRMRBIFNVWTRMX-UHFFFAOYSA-N
XLogP2.36
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-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 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
The IUPAC name of 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide (CID 155511848) is 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide.
What is the SMILES notation for 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
The canonical SMILES for 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide is CC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(C)(=O)=O)ccc23)cn1.
What is the InChIKey of 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
The InChIKey is NRMRBIFNVWTRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-12(2)11-27-17-8-6-14(10-20-17)18-15-7-5-13(9-16(15)23(3)21-18)19(24)22-28(4,25)26/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide?
1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylindazole-6-carboxamide is sourced from PubChem (CID 155511848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).