N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide

C38H36BrF6N5O4 — CID 87473670

About N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide

N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide (PubChem CID 87473670) has the molecular formula C38H36BrF6N5O4 and a molecular weight of 820.63 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

• Compound Name: N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
• PubChem CID: 87473670
• Molecular Formula: C38H36BrF6N5O4
• Molecular Weight: 820.63 g/mol
• Exact Mass: 819.19
• IUPAC Name: N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
• SMILES: Br.Cc1cc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)ncc1N(C)C(=O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C38H35F6N5O4.BrH/c1-24-18-34(45-21-33(24)47(3)35(50)26-6-9-28(10-7-26)38(42,43)44)53-30-13-8-27-19-32(46(2)31(27)20-30)36(51)49-16-14-48(15-17-49)22-25-4-11-29(12-5-25)52-23-37(39,40)41;/h4-13,18-21H,14-17,22-23H2,1-3H3;1H
• InChIKey: YUAUXPAGLHHJOF-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 80.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.63
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

The IUPAC name of N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide (CID 87473670) is N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide.

What is the SMILES notation for N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

The canonical SMILES for N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide is Br.Cc1cc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)ncc1N(C)C(=O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

The InChIKey is YUAUXPAGLHHJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35F6N5O4.BrH/c1-24-18-34(45-21-33(24)47(3)35(50)26-6-9-28(10-7-26)38(42,43)44)53-30-13-8-27-19-32(46(2)31(27)20-30)36(51)49-16-14-48(15-17-49)22-25-4-11-29(12-5-25)52-23-37(39,40)41;/h4-13,18-21H,14-17,22-23H2,1-3H3;1H.

What are the key properties of N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 820.63 g/mol, XLogP of 8.45, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 87473670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).