3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide

C23H33N3O4S — CID 25128162

IUPAC3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide
SMILESCOc1c(C)cc(Cc2c(C)nn(CCC(=O)NS(=O)(=O)C(C)C)c2C)c2c1CCC2
InChIInChI=1S/C23H33N3O4S/c1-14(2)31(28,29)25-22(27)10-11-26-17(5)21(16(4)24-26)13-18-12-15(3)23(30-6)20-9-7-8-19(18)20/h12,14H,7-11,13H2,1-6H3,(H,25,27)
InChIKeyBRXAEONTSSXVKM-UHFFFAOYSA-N
MW447.60 g/mol
LogP3.14
Rot. Bonds8

About 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide

3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide (PubChem CID 25128162) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide
PubChem CID25128162
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide
SMILESCOc1c(C)cc(Cc2c(C)nn(CCC(=O)NS(=O)(=O)C(C)C)c2C)c2c1CCC2
InChIInChI=1S/C23H33N3O4S/c1-14(2)31(28,29)25-22(27)10-11-26-17(5)21(16(4)24-26)13-18-12-15(3)23(30-6)20-9-7-8-19(18)20/h12,14H,7-11,13H2,1-6H3,(H,25,27)
InChIKeyBRXAEONTSSXVKM-UHFFFAOYSA-N
XLogP3.14
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide 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-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide?
The IUPAC name of 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide (CID 25128162) is 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide?
The canonical SMILES for 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide is COc1c(C)cc(Cc2c(C)nn(CCC(=O)NS(=O)(=O)C(C)C)c2C)c2c1CCC2.
What is the InChIKey of 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide?
The InChIKey is BRXAEONTSSXVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-14(2)31(28,29)25-22(27)10-11-26-17(5)21(16(4)24-26)13-18-12-15(3)23(30-6)20-9-7-8-19(18)20/h12,14H,7-11,13H2,1-6H3,(H,25,27).
What are the key properties of 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide?
3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide has a molecular weight of 447.60 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(7-methoxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 25128162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).