4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide

C36H33F6N5O2 — CID 151389285

About 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide

4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (PubChem CID 151389285) has the molecular formula C36H33F6N5O2 and a molecular weight of 681.68 g/mol. Its IUPAC name is 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• PubChem CID: 151389285
• Molecular Formula: C36H33F6N5O2
• Molecular Weight: 681.68 g/mol
• Exact Mass: 681.25
• IUPAC Name: 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
• SMILES: Cc1c(C(=O)NCC(F)(F)F)ccc2nn(CC3CCN(C(c4ccccc4)c4ccc(Oc5ccc(C(F)(F)F)cn5)cc4)CC3)cc12
• InChI: InChI=1S/C36H33F6N5O2/c1-23-29(34(48)44-22-35(37,38)39)12-13-31-30(23)21-47(45-31)20-24-15-17-46(18-16-24)33(25-5-3-2-4-6-25)26-7-10-28(11-8-26)49-32-14-9-27(19-43-32)36(40,41)42/h2-14,19,21,24,33H,15-18,20,22H2,1H3,(H,44,48)
• InChIKey: OUCBIAUUPQLFGK-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.68
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide (CID 151389285) is 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is Cc1c(C(=O)NCC(F)(F)F)ccc2nn(CC3CCN(C(c4ccccc4)c4ccc(Oc5ccc(C(F)(F)F)cn5)cc4)CC3)cc12.

What is the InChIKey of 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

The InChIKey is OUCBIAUUPQLFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F6N5O2/c1-23-29(34(48)44-22-35(37,38)39)12-13-31-30(23)21-47(45-31)20-24-15-17-46(18-16-24)33(25-5-3-2-4-6-25)26-7-10-28(11-8-26)49-32-14-9-27(19-43-32)36(40,41)42/h2-14,19,21,24,33H,15-18,20,22H2,1H3,(H,44,48).

What are the key properties of 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide?

4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide has a molecular weight of 681.68 g/mol, XLogP of 8.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[[1-[phenyl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide is sourced from PubChem (CID 151389285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).