2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C24H31F3N6O3 — CID 155295549

About 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 155295549) has the molecular formula C24H31F3N6O3 and a molecular weight of 508.55 g/mol. Its IUPAC name is 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 155295549
• Molecular Formula: C24H31F3N6O3
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.24
• IUPAC Name: 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: Cc1cccc2c1C1(CCN(C(=O)C3CCC4NNCC4N3)CC1)C(=O)N2CC(=O)NCC(F)(F)F
• InChI: InChI=1S/C24H31F3N6O3/c1-14-3-2-4-18-20(14)23(22(36)33(18)12-19(34)28-13-24(25,26)27)7-9-32(10-8-23)21(35)16-6-5-15-17(30-16)11-29-31-15/h2-4,15-17,29-31H,5-13H2,1H3,(H,28,34)
• InChIKey: DEHHFDCYTFKNCO-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 105.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 155295549) is 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cccc2c1C1(CCN(C(=O)C3CCC4NNCC4N3)CC1)C(=O)N2CC(=O)NCC(F)(F)F.

What is the InChIKey of 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is DEHHFDCYTFKNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O3/c1-14-3-2-4-18-20(14)23(22(36)33(18)12-19(34)28-13-24(25,26)27)7-9-32(10-8-23)21(35)16-6-5-15-17(30-16)11-29-31-15/h2-4,15-17,29-31H,5-13H2,1H3,(H,28,34).

What are the key properties of 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?

2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 508.55 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1'-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[4,3-b]pyridine-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 155295549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).