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

C44H52F6N8O4 — CID 137455815

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

[6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 137455815) has the molecular formula C44H52F6N8O4 and a molecular weight of 870.94 g/mol. Its IUPAC name is [6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• PubChem CID: 137455815
• Molecular Formula: C44H52F6N8O4
• Molecular Weight: 870.94 g/mol
• Exact Mass: 870.40
• IUPAC Name: [6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• SMILES: COCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(-n5nc(C(=O)N6CCC(c7ccccc7C(F)(F)F)CC6)c6c5CN(CCOC)CC6)c4C(F)(F)F)CC3)c2C1
• InChI: InChI=1S/C44H52F6N8O4/c1-61-24-22-54-17-15-35-33(26-54)39(52-51-35)41(59)56-20-12-29(13-21-56)31-7-5-9-36(38(31)44(48,49)50)58-37-27-55(23-25-62-2)16-14-32(37)40(53-58)42(60)57-18-10-28(11-19-57)30-6-3-4-8-34(30)43(45,46)47/h3-9,28-29H,10-27H2,1-2H3,(H,51,52)
• InChIKey: BVBRAWDPLJCNEF-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 112.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.94
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 137455815) is [6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

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

The canonical SMILES for [6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is COCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(-n5nc(C(=O)N6CCC(c7ccccc7C(F)(F)F)CC6)c6c5CN(CCOC)CC6)c4C(F)(F)F)CC3)c2C1.

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

The InChIKey is BVBRAWDPLJCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52F6N8O4/c1-61-24-22-54-17-15-35-33(26-54)39(52-51-35)41(59)56-20-12-29(13-21-56)31-7-5-9-36(38(31)44(48,49)50)58-37-27-55(23-25-62-2)16-14-32(37)40(53-58)42(60)57-18-10-28(11-19-57)30-6-3-4-8-34(30)43(45,46)47/h3-9,28-29H,10-27H2,1-2H3,(H,51,52).

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

[6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 870.94 g/mol, XLogP of 6.68, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-methoxyethyl)-1-[3-[1-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 137455815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).