N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride

C36H34ClF5N6O4 — CID 87474604

IUPACN-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)F)cc5)CC4)n(C)c3c2)nc1.Cl
InChIInChI=1S/C36H33F5N6O4.ClH/c1-44(33(48)24-5-8-26(9-6-24)36(39,40)41)27-19-42-35(43-20-27)51-29-12-7-25-17-31(45(2)30(25)18-29)34(49)47-15-13-46(14-16-47)21-23-3-10-28(11-4-23)50-22-32(37)38;/h3-12,17-20,32H,13-16,21-22H2,1-2H3;1H
InChIKeyILCIARTXTIYRCJ-UHFFFAOYSA-N
MW745.15 g/mol
LogP7.08
Rot. Bonds10

About N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride

N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 87474604) has the molecular formula C36H34ClF5N6O4 and a molecular weight of 745.15 g/mol. Its IUPAC name is N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID87474604
Molecular FormulaC36H34ClF5N6O4
Molecular Weight745.15 g/mol
Exact Mass744.23
IUPAC NameN-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)F)cc5)CC4)n(C)c3c2)nc1.Cl
InChIInChI=1S/C36H33F5N6O4.ClH/c1-44(33(48)24-5-8-26(9-6-24)36(39,40)41)27-19-42-35(43-20-27)51-29-12-7-25-17-31(45(2)30(25)18-29)34(49)47-15-13-46(14-16-47)21-23-3-10-28(11-4-23)50-22-32(37)38;/h3-12,17-20,32H,13-16,21-22H2,1-2H3;1H
InChIKeyILCIARTXTIYRCJ-UHFFFAOYSA-N
XLogP7.08
TPSA93.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.15
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride with MolForge

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Related Compounds

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
N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-2,3,5-trifluoro-N,4-dimethylbenzamide
CID 87474607
N-methyl-N-[6-[1-methyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]indol-5-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
CID 87472437
N-methyl-N-[4-methyl-6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrobromide
CID 87473670
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
3,4-dichloro-N-methyl-N-[6-[1-methyl-2-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]indol-6-yl]oxy-3-pyridinyl]benzamide;hydrobromide
CID 87472607
(Z)-but-2-enedioic acid;N-[6-[2-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-5-yl]oxy-3-pyridinyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 25256149
3,4-dichloro-N-[6-[2-[4-[[4-(1,3-difluoropropan-2-yloxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-N-methylbenzamide
CID 68500391
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-[[4-(difluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxy-3-pyridinyl]-2-methyl-4-(trifluoromethyl)benzamide;hydrochloride
CID 87473174
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
[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 155591495

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride (CID 87474604) is N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride is CN(C(=O)c1ccc(C(F)(F)F)cc1)c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)F)cc5)CC4)n(C)c3c2)nc1.Cl.
What is the InChIKey of N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is ILCIARTXTIYRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F5N6O4.ClH/c1-44(33(48)24-5-8-26(9-6-24)36(39,40)41)27-19-42-35(43-20-27)51-29-12-7-25-17-31(45(2)30(25)18-29)34(49)47-15-13-46(14-16-47)21-23-3-10-28(11-4-23)50-22-32(37)38;/h3-12,17-20,32H,13-16,21-22H2,1-2H3;1H.
What are the key properties of N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride?
N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 745.15 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine-1-carbonyl]-1-methylindol-6-yl]oxypyrimidin-5-yl]-N-methyl-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 87474604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).