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

C37H35BrF5N5O4 — CID 87472473

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

N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide (PubChem CID 87472473) has the molecular formula C37H35BrF5N5O4 and a molecular weight of 788.61 g/mol. Its IUPAC name is N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

• Compound Name: N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide
• PubChem CID: 87472473
• Molecular Formula: C37H35BrF5N5O4
• Molecular Weight: 788.61 g/mol
• Exact Mass: 787.18
• IUPAC Name: N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide
• SMILES: Br.CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)F)cc5)CC4)n(C)c3c2)nc1
• InChI: InChI=1S/C37H34F5N5O4.BrH/c1-44(35(48)25-5-8-27(9-6-25)37(40,41)42)28-10-14-34(43-21-28)51-30-13-7-26-19-32(45(2)31(26)20-30)36(49)47-17-15-46(16-18-47)22-24-3-11-29(12-4-24)50-23-33(38)39;/h3-14,19-21,33H,15-18,22-23H2,1-2H3;1H
• InChIKey: FOFOPSIAEDYRJE-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 80.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.61
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide (CID 87472473) is N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide.

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

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

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

The InChIKey is FOFOPSIAEDYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F5N5O4.BrH/c1-44(35(48)25-5-8-27(9-6-25)37(40,41)42)28-10-14-34(43-21-28)51-30-13-7-26-19-32(45(2)31(26)20-30)36(49)47-17-15-46(16-18-47)22-24-3-11-29(12-4-24)50-23-33(38)39;/h3-14,19-21,33H,15-18,22-23H2,1-2H3;1H.

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

N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 788.61 g/mol, XLogP of 7.84, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 87472473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).