N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide

C37H35BrF5N5O5 — CID 87472331

IUPACN-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide
SMILESBr.COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)[C@@H](C)C4)n(C)c3c2)nc1
InChIInChI=1S/C37H34F5N5O5.BrH/c1-22-20-47(15-14-46(22)21-23-4-9-27(10-5-23)52-36(38)39)35(49)31-16-24-6-11-28(18-30(24)45(31)2)51-33-13-8-26(19-43-33)44-34(48)29-12-7-25(37(40,41)42)17-32(29)50-3;/h4-13,16-19,22,36H,14-15,20-21H2,1-3H3,(H,44,48);1H/t22-;/m0./s1
InChIKeyMUQFHMHASGTBGG-FTBISJDPSA-N
MW804.61 g/mol
LogP8.17
Rot. Bonds10

About N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide

N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide (PubChem CID 87472331) has the molecular formula C37H35BrF5N5O5 and a molecular weight of 804.61 g/mol. Its IUPAC name is N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

Compound NameN-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide
PubChem CID87472331
Molecular FormulaC37H35BrF5N5O5
Molecular Weight804.61 g/mol
Exact Mass803.17
IUPAC NameN-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide
SMILESBr.COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)[C@@H](C)C4)n(C)c3c2)nc1
InChIInChI=1S/C37H34F5N5O5.BrH/c1-22-20-47(15-14-46(22)21-23-4-9-27(10-5-23)52-36(38)39)35(49)31-16-24-6-11-28(18-30(24)45(31)2)51-33-13-8-26(19-43-33)44-34(48)29-12-7-25(37(40,41)42)17-32(29)50-3;/h4-13,16-19,22,36H,14-15,20-21H2,1-3H3,(H,44,48);1H/t22-;/m0./s1
InChIKeyMUQFHMHASGTBGG-FTBISJDPSA-N
XLogP8.17
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.61
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide with MolForge

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Related Compounds

N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2,3,5-trifluoro-4-methoxybenzamide
CID 87473021
N-[6-[1-methyl-2-[3-methyl-4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-2,4-bis(trifluoromethyl)benzamide
CID 87475042
N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methyl-4-(trifluoromethyl)benzamide;hydrochloride
CID 87473174
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
3,4-dichloro-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]benzamide
CID 87472407
N-[6-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methyl-4-(trifluoromethyl)benzamide;hydrochloride
CID 87472365
N-[6-[1-methyl-2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 68500305
N-[6-[1-methyl-2-[4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 87472195
tert-butyl 4-[1-methyl-6-[[5-[[2-methyl-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]oxy]indole-2-carbonyl]piperazine-1-carboxylate
CID 68750987
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
N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]-4-oxidopiperazin-4-ium-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-fluoro-N-methyl-4-(trifluoromethyl)benzamide
CID 87489529
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

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide?
The IUPAC name of N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide (CID 87472331) is N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide.
What is the SMILES notation for N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide?
The canonical SMILES for N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide is Br.COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OC(F)F)cc5)[C@@H](C)C4)n(C)c3c2)nc1.
What is the InChIKey of N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide?
The InChIKey is MUQFHMHASGTBGG-FTBISJDPSA-N. The full InChI is InChI=1S/C37H34F5N5O5.BrH/c1-22-20-47(15-14-46(22)21-23-4-9-27(10-5-23)52-36(38)39)35(49)31-16-24-6-11-28(18-30(24)45(31)2)51-33-13-8-26(19-43-33)44-34(48)29-12-7-25(37(40,41)42)17-32(29)50-3;/h4-13,16-19,22,36H,14-15,20-21H2,1-3H3,(H,44,48);1H/t22-;/m0./s1.
What are the key properties of N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide?
N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 804.61 g/mol, XLogP of 8.17, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3S)-4-[[4-(difluoromethoxy)phenyl]methyl]-3-methylpiperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methoxy-4-(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 87472331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).