N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide

C23H26N4OS — CID 24793849

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1C
InChIInChI=1S/C23H26N4OS/c1-15-8-5-6-10-19(15)27-20-13-23(2,3)12-18(17(20)14-25-27)26-21(28)16-9-7-11-24-22(16)29-4/h5-11,14,18H,12-13H2,1-4H3,(H,26,28)
InChIKeyWLDWULCEHIHHCO-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.74
Rot. Bonds4

About N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 24793849) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID24793849
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1C
InChIInChI=1S/C23H26N4OS/c1-15-8-5-6-10-19(15)27-20-13-23(2,3)12-18(17(20)14-25-27)26-21(28)16-9-7-11-24-22(16)29-4/h5-11,14,18H,12-13H2,1-4H3,(H,26,28)
InChIKeyWLDWULCEHIHHCO-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-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 N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 24793849) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1C.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is WLDWULCEHIHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-15-8-5-6-10-19(15)27-20-13-23(2,3)12-18(17(20)14-25-27)26-21(28)16-9-7-11-24-22(16)29-4/h5-11,14,18H,12-13H2,1-4H3,(H,26,28).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 406.56 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 24793849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).