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

C37H34BrClF5N5O4 — CID 87473061

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

2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide (PubChem CID 87473061) has the molecular formula C37H34BrClF5N5O4 and a molecular weight of 823.06 g/mol. Its IUPAC name is 2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
• PubChem CID: 87473061
• Molecular Formula: C37H34BrClF5N5O4
• Molecular Weight: 823.06 g/mol
• Exact Mass: 821.14
• IUPAC Name: 2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
• SMILES: Br.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4Cl)cn3)cc21
• InChI: InChI=1S/C37H33ClF5N5O4.BrH/c1-46-32-18-28(52-34-11-6-26(21-44-34)45-35(49)30-10-5-25(17-31(30)38)37(41,42)43)9-4-24(32)16-33(46)36(50)48-14-12-47(13-15-48)22-23-2-7-27(8-3-23)51-29(19-39)20-40;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,45,49);1H
• InChIKey: ZEDRSVZUBTXEQO-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.06
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide (CID 87473061) is 2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide.

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

The canonical SMILES for 2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide is Br.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4Cl)cn3)cc21.

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

The InChIKey is ZEDRSVZUBTXEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33ClF5N5O4.BrH/c1-46-32-18-28(52-34-11-6-26(21-44-34)45-35(49)30-10-5-25(17-31(30)38)37(41,42)43)9-4-24(32)16-33(46)36(50)48-14-12-47(13-15-48)22-23-2-7-27(8-3-23)51-29(19-39)20-40;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,45,49);1H.

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

2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 823.06 g/mol, XLogP of 8.51, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 87473061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).