N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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 155115945

IUPACN-[(3R)-2'-[3-(difluoromethoxy)propyl]-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(nn1CCCOC(F)F)C[C@@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C23H25F5N4O6S/c1-39(35,36)11-17(33)29-19-18-16(31-32(19)7-2-8-37-21(24)25)10-22(30-20(18)34)6-5-13-9-14(3-4-15(13)22)38-12-23(26,27)28/h3-4,9,21H,2,5-8,10-12H2,1H3,(H,29,33)(H,30,34)/t22-/m1/s1
InChIKeyXVZIXBQZWOPEEN-JOCHJYFZSA-N
MW580.53 g/mol
LogP2.56
Rot. Bonds10

About N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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'-[3-(difluoromethoxy)propyl]-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 155115945) has the molecular formula C23H25F5N4O6S and a molecular weight of 580.53 g/mol. Its IUPAC name is N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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'-[3-(difluoromethoxy)propyl]-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 CID155115945
Molecular FormulaC23H25F5N4O6S
Molecular Weight580.53 g/mol
Exact Mass580.14
IUPAC NameN-[(3R)-2'-[3-(difluoromethoxy)propyl]-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(nn1CCCOC(F)F)C[C@@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O
InChIInChI=1S/C23H25F5N4O6S/c1-39(35,36)11-17(33)29-19-18-16(31-32(19)7-2-8-37-21(24)25)10-22(30-20(18)34)6-5-13-9-14(3-4-15(13)22)38-12-23(26,27)28/h3-4,9,21H,2,5-8,10-12H2,1H3,(H,29,33)(H,30,34)/t22-/m1/s1
InChIKeyXVZIXBQZWOPEEN-JOCHJYFZSA-N
XLogP2.56
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 ≤ 52.56
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'-[3-(difluoromethoxy)propyl]-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

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Related Compounds

CID 146608280
CID 146608280
CID 155115375
CID 155115375
CID 155115460
CID 155115460
CID 155115812
CID 155115812
CID 155115822
CID 155115822
CID 155115842
CID 155115842
CID 155115995
CID 155115995
CID 155116009
CID 155116009
CID 155116022
CID 155116022
CID 155116034
CID 155116034
CID 155613784
CID 155613784
CID 155613792
CID 155613792

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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'-[3-(difluoromethoxy)propyl]-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 155115945) is N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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'-[3-(difluoromethoxy)propyl]-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'-[3-(difluoromethoxy)propyl]-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(nn1CCCOC(F)F)C[C@@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O.
What is the InChIKey of N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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 XVZIXBQZWOPEEN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25F5N4O6S/c1-39(35,36)11-17(33)29-19-18-16(31-32(19)7-2-8-37-21(24)25)10-22(30-20(18)34)6-5-13-9-14(3-4-15(13)22)38-12-23(26,27)28/h3-4,9,21H,2,5-8,10-12H2,1H3,(H,29,33)(H,30,34)/t22-/m1/s1.
What are the key properties of N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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'-[3-(difluoromethoxy)propyl]-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 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2'-[3-(difluoromethoxy)propyl]-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 155115945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).