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

C26H23F3N6O5S — CID 155115711

About (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide

(3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (PubChem CID 155115711) has the molecular formula C26H23F3N6O5S and a molecular weight of 588.57 g/mol. Its IUPAC name is (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.

Molecular Properties

• Compound Name: (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
• PubChem CID: 155115711
• Molecular Formula: C26H23F3N6O5S
• Molecular Weight: 588.57 g/mol
• Exact Mass: 588.14
• IUPAC Name: (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide
• SMILES: CS(=O)(=O)CCNC(=O)c1c2c(nn1-c1ccc(C#N)cn1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O
• InChI: InChI=1S/C26H23F3N6O5S/c1-41(38,39)9-8-31-24(37)22-21-19(34-35(22)20-5-2-15(12-30)13-32-20)11-25(33-23(21)36)7-6-16-10-17(3-4-18(16)25)40-14-26(27,28)29/h2-5,10,13H,6-9,11,14H2,1H3,(H,31,37)(H,33,36)/t25-/m0/s1
• InChIKey: VYTDEJQGXDBETL-VWLOTQADSA-N
• XLogP: 1.98
• TPSA: 156.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.57
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?

The IUPAC name of (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide (CID 155115711) is (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide.

What is the SMILES notation for (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?

The canonical SMILES for (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is CS(=O)(=O)CCNC(=O)c1c2c(nn1-c1ccc(C#N)cn1)C[C@]1(CCc3cc(OCC(F)(F)F)ccc31)NC2=O.

What is the InChIKey of (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?

The InChIKey is VYTDEJQGXDBETL-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23F3N6O5S/c1-41(38,39)9-8-31-24(37)22-21-19(34-35(22)20-5-2-15(12-30)13-32-20)11-25(33-23(21)36)7-6-16-10-17(3-4-18(16)25)40-14-26(27,28)29/h2-5,10,13H,6-9,11,14H2,1H3,(H,31,37)(H,33,36)/t25-/m0/s1.

What are the key properties of (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide?

(3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide has a molecular weight of 588.57 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-2'-(5-cyano-2-pyridinyl)-N-(2-methylsulfonylethyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-carboxamide is sourced from PubChem (CID 155115711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).