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

C46H56F6N8O4S — CID 137456810

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

(5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 137456810) has the molecular formula C46H56F6N8O4S and a molecular weight of 931.06 g/mol. Its IUPAC name is (5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• PubChem CID: 137456810
• Molecular Formula: C46H56F6N8O4S
• Molecular Weight: 931.06 g/mol
• Exact Mass: 930.40
• IUPAC Name: (5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• SMILES: CC(C)CS(=O)(=O)N1CCc2c(c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn2-c2ccc(C3CCN(C(=O)c4n[nH]c5c4CN(C(C)(C)C)CC5)CC3)c(C(F)(F)F)c2)C1
• InChI: InChI=1S/C46H56F6N8O4S/c1-28(2)27-65(63,64)59-23-17-39-35(26-59)41(43(62)57-20-12-29(13-21-57)32-8-6-7-9-36(32)45(47,48)49)55-60(39)31-10-11-33(37(24-31)46(50,51)52)30-14-18-56(19-15-30)42(61)40-34-25-58(44(3,4)5)22-16-38(34)53-54-40/h6-11,24,28-30H,12-23,25-27H2,1-5H3,(H,53,54)
• InChIKey: SDLXUOQNDZVNIM-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 127.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.06
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 137456810) is (5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is CC(C)CS(=O)(=O)N1CCc2c(c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn2-c2ccc(C3CCN(C(=O)c4n[nH]c5c4CN(C(C)(C)C)CC5)CC3)c(C(F)(F)F)c2)C1.

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

The InChIKey is SDLXUOQNDZVNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H56F6N8O4S/c1-28(2)27-65(63,64)59-23-17-39-35(26-59)41(43(62)57-20-12-29(13-21-57)32-8-6-7-9-36(32)45(47,48)49)55-60(39)31-10-11-33(37(24-31)46(50,51)52)30-14-18-56(19-15-30)42(61)40-34-25-58(44(3,4)5)22-16-38(34)53-54-40/h6-11,24,28-30H,12-23,25-27H2,1-5H3,(H,53,54).

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

(5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 931.06 g/mol, XLogP of 8.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[4-[5-(2-methylpropylsulfonyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 137456810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).