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

C38H34BrF8N5O4 — CID 87471570

IUPACN-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide
SMILESBr.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4C(F)(F)F)cn3)cc21
InChIInChI=1S/C38H33F8N5O4.BrH/c1-49-32-18-28(55-34-11-6-26(21-47-34)48-35(52)30-10-5-25(37(41,42)43)17-31(30)38(44,45)46)9-4-24(32)16-33(49)36(53)51-14-12-50(13-15-51)22-23-2-7-27(8-3-23)54-29(19-39)20-40;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,48,52);1H
InChIKeyODKFKTJRFRBBHP-UHFFFAOYSA-N
MW856.61 g/mol
LogP8.88
Rot. Bonds11

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

N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide (PubChem CID 87471570) has the molecular formula C38H34BrF8N5O4 and a molecular weight of 856.61 g/mol. Its IUPAC name is N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

Compound NameN-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide
PubChem CID87471570
Molecular FormulaC38H34BrF8N5O4
Molecular Weight856.61 g/mol
Exact Mass855.17
IUPAC NameN-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide
SMILESBr.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4C(F)(F)F)cn3)cc21
InChIInChI=1S/C38H33F8N5O4.BrH/c1-49-32-18-28(55-34-11-6-26(21-47-34)48-35(52)30-10-5-25(37(41,42)43)17-31(30)38(44,45)46)9-4-24(32)16-33(49)36(53)51-14-12-50(13-15-51)22-23-2-7-27(8-3-23)54-29(19-39)20-40;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,48,52);1H
InChIKeyODKFKTJRFRBBHP-UHFFFAOYSA-N
XLogP8.88
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.61
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide?
The IUPAC name of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide (CID 87471570) is N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide.
What is the SMILES notation for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide?
The canonical SMILES for N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide is Br.Cn1c(C(=O)N2CCN(Cc3ccc(OC(CF)CF)cc3)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4C(F)(F)F)cn3)cc21.
What is the InChIKey of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide?
The InChIKey is ODKFKTJRFRBBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33F8N5O4.BrH/c1-49-32-18-28(55-34-11-6-26(21-47-34)48-35(52)30-10-5-25(37(41,42)43)17-31(30)38(44,45)46)9-4-24(32)16-33(49)36(53)51-14-12-50(13-15-51)22-23-2-7-27(8-3-23)54-29(19-39)20-40;/h2-11,16-18,21,29H,12-15,19-20,22H2,1H3,(H,48,52);1H.
What are the key properties of N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide?
N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 856.61 g/mol, XLogP of 8.88, 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-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 87471570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).