N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

C23H25F5N4O6S — CID 146606776

IUPACN-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1CCOCC(F)F)C[C@@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C23H25F5N4O6S/c1-39(35,36)11-18(33)29-20-19-16(31-32(20)6-7-37-10-17(24)25)9-22(30-21(19)34)5-4-13-8-14(2-3-15(13)22)38-12-23(26,27)28/h2-3,8,17H,4-7,9-12H2,1H3,(H,29,33)(H,30,34)/t22-/m1/s1
InChIKeyMXEAYMSCYKZSOV-JOCHJYFZSA-N
MW580.53 g/mol
LogP2.22
Rot. Bonds10

About N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide

N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (PubChem CID 146606776) has the molecular formula C23H25F5N4O6S and a molecular weight of 580.53 g/mol. Its IUPAC name is N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
PubChem CID146606776
Molecular FormulaC23H25F5N4O6S
Molecular Weight580.53 g/mol
Exact Mass580.14
IUPAC NameN-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1CCOCC(F)F)C[C@@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C23H25F5N4O6S/c1-39(35,36)11-18(33)29-20-19-16(31-32(20)6-7-37-10-17(24)25)9-22(30-21(19)34)5-4-13-8-14(2-3-15(13)22)38-12-23(26,27)28/h2-3,8,17H,4-7,9-12H2,1H3,(H,29,33)(H,30,34)/t22-/m1/s1
InChIKeyMXEAYMSCYKZSOV-JOCHJYFZSA-N
XLogP2.22
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide 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-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide (CID 146606776) is N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1c2c(nn1CCOCC(F)F)C[C@@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O.
What is the InChIKey of N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
The InChIKey is MXEAYMSCYKZSOV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25F5N4O6S/c1-39(35,36)11-18(33)29-20-19-16(31-32(20)6-7-37-10-17(24)25)9-22(30-21(19)34)5-4-13-8-14(2-3-15(13)22)38-12-23(26,27)28/h2-3,8,17H,4-7,9-12H2,1H3,(H,29,33)(H,30,34)/t22-/m1/s1.
What are the key properties of N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide?
N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide has a molecular weight of 580.53 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2'-[2-(2,2-difluoroethoxy)ethyl]-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 146606776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).