2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

C44H48F6N8O6 — CID 137456786

About 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 137456786) has the molecular formula C44H48F6N8O6 and a molecular weight of 898.91 g/mol. Its IUPAC name is 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
• PubChem CID: 137456786
• Molecular Formula: C44H48F6N8O6
• Molecular Weight: 898.91 g/mol
• Exact Mass: 898.36
• IUPAC Name: 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
• SMILES: COCC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cccc(-n5nc(C(=O)N6CCC(c7ccccc7C(F)(F)F)CC6)c6c5CN(C(=O)COC)CC6)c4C(F)(F)F)CC3)c2C1
• InChI: InChI=1S/C44H48F6N8O6/c1-63-24-36(59)56-21-15-33-31(22-56)39(52-51-33)41(61)54-18-12-27(13-19-54)29-7-5-9-34(38(29)44(48,49)50)58-35-23-57(37(60)25-64-2)20-14-30(35)40(53-58)42(62)55-16-10-26(11-17-55)28-6-3-4-8-32(28)43(45,46)47/h3-9,26-27H,10-25H2,1-2H3,(H,51,52)
• InChIKey: FREIVKNEHYQZGL-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 146.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.91
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

The IUPAC name of 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (CID 137456786) is 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

What is the SMILES notation for 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

The canonical SMILES for 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is COCC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cccc(-n5nc(C(=O)N6CCC(c7ccccc7C(F)(F)F)CC6)c6c5CN(C(=O)COC)CC6)c4C(F)(F)F)CC3)c2C1.

What is the InChIKey of 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

The InChIKey is FREIVKNEHYQZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48F6N8O6/c1-63-24-36(59)56-21-15-33-31(22-56)39(52-51-33)41(61)54-18-12-27(13-19-54)29-7-5-9-34(38(29)44(48,49)50)58-35-23-57(37(60)25-64-2)20-14-30(35)40(53-58)42(62)55-16-10-26(11-17-55)28-6-3-4-8-32(28)43(45,46)47/h3-9,26-27H,10-25H2,1-2H3,(H,51,52).

What are the key properties of 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone has a molecular weight of 898.91 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[1-[3-[1-[5-(2-methoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 137456786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).