N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide

C37H35BrF5N5O4 — CID 87474309

About N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide

N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide (PubChem CID 87474309) has the molecular formula C37H35BrF5N5O4 and a molecular weight of 788.61 g/mol. Its IUPAC name is N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide.

Molecular Properties

• Compound Name: N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide
• PubChem CID: 87474309
• Molecular Formula: C37H35BrF5N5O4
• Molecular Weight: 788.61 g/mol
• Exact Mass: 787.18
• IUPAC Name: N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide
• SMILES: Br.Cc1c(F)cc(C(=O)Nc2ccc(Oc3ccc4c(c3)cc(C(=O)N3CCN(Cc5ccc(OC(CF)CF)cc5)CC3)n4C)nc2)c(F)c1F
• InChI: InChI=1S/C37H34F5N5O4.BrH/c1-22-30(40)17-29(35(42)34(22)41)36(48)44-25-5-10-33(43-20-25)51-27-8-9-31-24(15-27)16-32(45(31)2)37(49)47-13-11-46(12-14-47)21-23-3-6-26(7-4-23)50-28(18-38)19-39;/h3-10,15-17,20,28H,11-14,18-19,21H2,1-2H3,(H,44,48);1H
• InChIKey: YCSCZOWGOYZLCP-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.61
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide?

The IUPAC name of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide (CID 87474309) is N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide.

What is the SMILES notation for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide?

The canonical SMILES for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide is Br.Cc1c(F)cc(C(=O)Nc2ccc(Oc3ccc4c(c3)cc(C(=O)N3CCN(Cc5ccc(OC(CF)CF)cc5)CC3)n4C)nc2)c(F)c1F.

What is the InChIKey of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide?

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

What are the key properties of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide?

N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide has a molecular weight of 788.61 g/mol, XLogP of 7.57, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methylbenzamide;hydrobromide is sourced from PubChem (CID 87474309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).