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

C24H21ClF3N5O5S — CID 155115375

About N-[(3S)-2'-(5-chloro-2-pyridinyl)-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-[(3S)-2'-(5-chloro-2-pyridinyl)-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 155115375) has the molecular formula C24H21ClF3N5O5S and a molecular weight of 583.98 g/mol. Its IUPAC name is N-[(3S)-2'-(5-chloro-2-pyridinyl)-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 Name: N-[(3S)-2'-(5-chloro-2-pyridinyl)-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: 155115375
• Molecular Formula: C24H21ClF3N5O5S
• Molecular Weight: 583.98 g/mol
• Exact Mass: 583.09
• IUPAC Name: N-[(3S)-2'-(5-chloro-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
• SMILES: CS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(Cl)cn1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O
• InChI: InChI=1S/C24H21ClF3N5O5S/c1-39(36,37)11-19(34)30-21-20-17(32-33(21)18-5-2-14(25)10-29-18)9-23(31-22(20)35)7-6-13-8-15(3-4-16(13)23)38-12-24(26,27)28/h2-5,8,10H,6-7,9,11-12H2,1H3,(H,30,34)(H,31,35)/t23-/m0/s1
• InChIKey: PZOWXIZDAUGLCN-QHCPKHFHSA-N
• XLogP: 2.97
• TPSA: 132.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.98
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2'-(5-chloro-2-pyridinyl)-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-[(3S)-2'-(5-chloro-2-pyridinyl)-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 155115375) is N-[(3S)-2'-(5-chloro-2-pyridinyl)-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-[(3S)-2'-(5-chloro-2-pyridinyl)-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-[(3S)-2'-(5-chloro-2-pyridinyl)-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(nn1-c1ccc(Cl)cn1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O.

What is the InChIKey of N-[(3S)-2'-(5-chloro-2-pyridinyl)-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 PZOWXIZDAUGLCN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21ClF3N5O5S/c1-39(36,37)11-19(34)30-21-20-17(32-33(21)18-5-2-14(25)10-29-18)9-23(31-22(20)35)7-6-13-8-15(3-4-16(13)23)38-12-24(26,27)28/h2-5,8,10H,6-7,9,11-12H2,1H3,(H,30,34)(H,31,35)/t23-/m0/s1.

What are the key properties of N-[(3S)-2'-(5-chloro-2-pyridinyl)-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-[(3S)-2'-(5-chloro-2-pyridinyl)-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 583.98 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-2'-(5-chloro-2-pyridinyl)-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 155115375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).