2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide

C23H24F6N4O7S — CID 146606805

IUPAC2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1CCCOC(F)(F)F)C[C@]1(CCOc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C23H24F6N4O7S/c1-41(36,37)11-17(34)30-19-18-15(32-33(19)6-2-7-40-23(27,28)29)10-21(31-20(18)35)5-8-38-16-9-13(3-4-14(16)21)39-12-22(24,25)26/h3-4,9H,2,5-8,10-12H2,1H3,(H,30,34)(H,31,35)/t21-/m0/s1
InChIKeyJATLANXSNSDNJP-NRFANRHFSA-N
MW614.52 g/mol
LogP2.70
Rot. Bonds9

About 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide

2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide (PubChem CID 146606805) has the molecular formula C23H24F6N4O7S and a molecular weight of 614.52 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide
PubChem CID146606805
Molecular FormulaC23H24F6N4O7S
Molecular Weight614.52 g/mol
Exact Mass614.13
IUPAC Name2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1CCCOC(F)(F)F)C[C@]1(CCOc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C23H24F6N4O7S/c1-41(36,37)11-17(34)30-19-18-15(32-33(19)6-2-7-40-23(27,28)29)10-21(31-20(18)35)5-8-38-16-9-13(3-4-14(16)21)39-12-22(24,25)26/h3-4,9H,2,5-8,10-12H2,1H3,(H,30,34)(H,31,35)/t21-/m0/s1
InChIKeyJATLANXSNSDNJP-NRFANRHFSA-N
XLogP2.70
TPSA137.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide 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-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide?
The IUPAC name of 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide (CID 146606805) is 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide?
The canonical SMILES for 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide is CS(=O)(=O)CC(=O)Nc1c2c(nn1CCCOC(F)(F)F)C[C@]1(CCOc3cc(OCC(F)(F)F)ccc31)NC2=O.
What is the InChIKey of 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide?
The InChIKey is JATLANXSNSDNJP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24F6N4O7S/c1-41(36,37)11-17(34)30-19-18-15(32-33(19)6-2-7-40-23(27,28)29)10-21(31-20(18)35)5-8-38-16-9-13(3-4-14(16)21)39-12-22(24,25)26/h3-4,9H,2,5-8,10-12H2,1H3,(H,30,34)(H,31,35)/t21-/m0/s1.
What are the key properties of 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide?
2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide has a molecular weight of 614.52 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[3-(trifluoromethoxy)propyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide is sourced from PubChem (CID 146606805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).