3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide

C21H23ClN4O4S — CID 155566527

IUPAC3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
SMILESCC(C)COc1ncc(-c2nn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cc1Cl
InChIInChI=1S/C21H23ClN4O4S/c1-12(2)11-30-21-17(22)8-14(10-23-21)19-16-7-4-13(9-18(16)26(3)24-19)20(27)25-31(28,29)15-5-6-15/h4,7-10,12,15H,5-6,11H2,1-3H3,(H,25,27)
InChIKeyGGGNZWFRACLHHE-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.55
Rot. Bonds7

About 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide

3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide (PubChem CID 155566527) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
PubChem CID155566527
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide
SMILESCC(C)COc1ncc(-c2nn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cc1Cl
InChIInChI=1S/C21H23ClN4O4S/c1-12(2)11-30-21-17(22)8-14(10-23-21)19-16-7-4-13(9-18(16)26(3)24-19)20(27)25-31(28,29)15-5-6-15/h4,7-10,12,15H,5-6,11H2,1-3H3,(H,25,27)
InChIKeyGGGNZWFRACLHHE-UHFFFAOYSA-N
XLogP3.55
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-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 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
The IUPAC name of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide (CID 155566527) is 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide.
What is the SMILES notation for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
The canonical SMILES for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide is CC(C)COc1ncc(-c2nn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cc1Cl.
What is the InChIKey of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
The InChIKey is GGGNZWFRACLHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-12(2)11-30-21-17(22)8-14(10-23-21)19-16-7-4-13(9-18(16)26(3)24-19)20(27)25-31(28,29)15-5-6-15/h4,7-10,12,15H,5-6,11H2,1-3H3,(H,25,27).
What are the key properties of 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide?
3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide has a molecular weight of 462.96 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-cyclopropylsulfonyl-1-methylindazole-6-carboxamide is sourced from PubChem (CID 155566527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).