N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide

C36H32BrF6N5O3 — CID 87472437

About N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide

N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide (PubChem CID 87472437) has the molecular formula C36H32BrF6N5O3 and a molecular weight of 776.58 g/mol. Its IUPAC name is N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

• Compound Name: N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
• PubChem CID: 87472437
• Molecular Formula: C36H32BrF6N5O3
• Molecular Weight: 776.58 g/mol
• Exact Mass: 775.16
• IUPAC Name: N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
• SMILES: Br.CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(Cc4ccc(C(F)(F)F)cc4)CC2)n3C)nc1
• InChI: InChI=1S/C36H31F6N5O3.BrH/c1-44(33(48)24-5-9-27(10-6-24)36(40,41)42)28-11-14-32(43-21-28)50-29-12-13-30-25(19-29)20-31(45(30)2)34(49)47-17-15-46(16-18-47)22-23-3-7-26(8-4-23)35(37,38)39;/h3-14,19-21H,15-18,22H2,1-2H3;1H
• InChIKey: UOAKCGSEQKKRRZ-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 70.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.58
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

The IUPAC name of N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide (CID 87472437) is N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide.

What is the SMILES notation for N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

The canonical SMILES for N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide is Br.CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(Cc4ccc(C(F)(F)F)cc4)CC2)n3C)nc1.

What is the InChIKey of N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

The InChIKey is UOAKCGSEQKKRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31F6N5O3.BrH/c1-44(33(48)24-5-9-27(10-6-24)36(40,41)42)28-11-14-32(43-21-28)50-29-12-13-30-25(19-29)20-31(45(30)2)34(49)47-17-15-46(16-18-47)22-23-3-7-26(8-4-23)35(37,38)39;/h3-14,19-21H,15-18,22H2,1-2H3;1H.

What are the key properties of N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide?

N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 776.58 g/mol, XLogP of 8.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 87472437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).