N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide

C36H33BrF5N5O5 — CID 87472290

About N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide

N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide (PubChem CID 87472290) has the molecular formula C36H33BrF5N5O5 and a molecular weight of 790.58 g/mol. Its IUPAC name is N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide.

Molecular Properties

• Compound Name: N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide
• PubChem CID: 87472290
• Molecular Formula: C36H33BrF5N5O5
• Molecular Weight: 790.58 g/mol
• Exact Mass: 789.16
• IUPAC Name: N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide
• SMILES: Br.CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)CC4)n(C)c3c2)nc1
• InChI: InChI=1S/C36H32F5N5O5.BrH/c1-43(33(47)24-5-11-28(12-6-24)51-36(39,40)41)26-8-14-32(42-21-26)49-29-13-7-25-19-31(44(2)30(25)20-29)34(48)46-17-15-45(16-18-46)22-23-3-9-27(10-4-23)50-35(37)38;/h3-14,19-21,35H,15-18,22H2,1-2H3;1H
• InChIKey: SGCYAXWXICQIQQ-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 89.37 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.58
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide (CID 87472290) is N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide.

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

The canonical SMILES for N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide is Br.CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)CC4)n(C)c3c2)nc1.

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

The InChIKey is SGCYAXWXICQIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F5N5O5.BrH/c1-43(33(47)24-5-11-28(12-6-24)51-36(39,40)41)26-8-14-32(42-21-26)49-29-13-7-25-19-31(44(2)30(25)20-29)34(48)46-17-15-45(16-18-46)22-23-3-9-27(10-4-23)50-35(37)38;/h3-14,19-21,35H,15-18,22H2,1-2H3;1H.

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

N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide has a molecular weight of 790.58 g/mol, XLogP of 7.68, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethoxy)benzamide;hydrobromide is sourced from PubChem (CID 87472290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).