2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide

C20H20FN3O3S — CID 171771878

IUPAC2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCC2)c1
InChIInChI=1S/C20H20FN3O3S/c1-28(26,27)16-7-3-6-15(11-16)22-20(25)19-17-9-8-14(21)10-18(17)23-24(19)12-13-4-2-5-13/h3,6-11,13H,2,4-5,12H2,1H3,(H,22,25)
InChIKeyDUWKMIYCIROEEL-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.63
Rot. Bonds5

About 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide

2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide (PubChem CID 171771878) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide
PubChem CID171771878
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCC2)c1
InChIInChI=1S/C20H20FN3O3S/c1-28(26,27)16-7-3-6-15(11-16)22-20(25)19-17-9-8-14(21)10-18(17)23-24(19)12-13-4-2-5-13/h3,6-11,13H,2,4-5,12H2,1H3,(H,22,25)
InChIKeyDUWKMIYCIROEEL-UHFFFAOYSA-N
XLogP3.63
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-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-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide?
The IUPAC name of 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide (CID 171771878) is 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide.
What is the SMILES notation for 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide?
The canonical SMILES for 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide?
The InChIKey is DUWKMIYCIROEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-28(26,27)16-7-3-6-15(11-16)22-20(25)19-17-9-8-14(21)10-18(17)23-24(19)12-13-4-2-5-13/h3,6-11,13H,2,4-5,12H2,1H3,(H,22,25).
What are the key properties of 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide?
2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide is sourced from PubChem (CID 171771878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).