3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide

C116H130F12N20O10 — CID 159506799

IUPAC3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide
SMILESCCC(=O)Cc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(C)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(CC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1
InChIInChI=1S/C31H34F3N5O3.C30H34F3N5O3.C28H32F3N5O2.C27H30F3N5O2/c1-3-38-10-12-39(13-11-38)18-23-8-9-24(15-26(23)31(32,33)34)37-30(41)22-5-4-20(2)28(14-22)42-29-17-25(35-19-36-29)16-27(40)21-6-7-21;1-4-25(39)15-24-17-28(35-19-34-24)41-27-14-21(7-6-20(27)3)29(40)36-23-9-8-22(26(16-23)30(31,32)33)18-38-12-10-37(5-2)11-13-38;1-4-22-16-26(33-18-32-22)38-25-14-20(7-6-19(25)3)27(37)34-23-9-8-21(24(15-23)28(29,30)31)17-36-12-10-35(5-2)11-13-36;1-4-34-9-11-35(12-10-34)16-21-7-8-22(15-23(21)27(28,29)30)33-26(36)20-6-5-18(2)24(14-20)37-25-13-19(3)31-17-32-25/h4-5,8-9,14-15,17,19,21H,3,6-7,10-13,16,18H2,1-2H3,(H,37,41);6-9,14,16-17,19H,4-5,10-13,15,18H2,1-3H3,(H,36,40);6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,34,37);5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,33,36)
InChIKeyMACBBHYSMSPUMP-UHFFFAOYSA-N
MW2192.42 g/mol
LogP21.86
Rot. Bonds35

About 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide

3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 159506799) has the molecular formula C116H130F12N20O10 and a molecular weight of 2192.42 g/mol. Its IUPAC name is 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide
PubChem CID159506799
Molecular FormulaC116H130F12N20O10
Molecular Weight2192.42 g/mol
Exact Mass2191.01
IUPAC Name3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide
SMILESCCC(=O)Cc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(C)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(CC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1
InChIInChI=1S/C31H34F3N5O3.C30H34F3N5O3.C28H32F3N5O2.C27H30F3N5O2/c1-3-38-10-12-39(13-11-38)18-23-8-9-24(15-26(23)31(32,33)34)37-30(41)22-5-4-20(2)28(14-22)42-29-17-25(35-19-36-29)16-27(40)21-6-7-21;1-4-25(39)15-24-17-28(35-19-34-24)41-27-14-21(7-6-20(27)3)29(40)36-23-9-8-22(26(16-23)30(31,32)33)18-38-12-10-37(5-2)11-13-38;1-4-22-16-26(33-18-32-22)38-25-14-20(7-6-19(25)3)27(37)34-23-9-8-21(24(15-23)28(29,30)31)17-36-12-10-35(5-2)11-13-36;1-4-34-9-11-35(12-10-34)16-21-7-8-22(15-23(21)27(28,29)30)33-26(36)20-6-5-18(2)24(14-20)37-25-13-19(3)31-17-32-25/h4-5,8-9,14-15,17,19,21H,3,6-7,10-13,16,18H2,1-2H3,(H,37,41);6-9,14,16-17,19H,4-5,10-13,15,18H2,1-3H3,(H,36,40);6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,34,37);5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,33,36)
InChIKeyMACBBHYSMSPUMP-UHFFFAOYSA-N
XLogP21.86
TPSA316.50 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002192.42
LogP ≤ 521.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide with MolForge

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(7H-purin-6-yloxy)benzamide
CID 71254198
3-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;dihydrochloride
CID 146018965
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(8H-pyrrolo[3,2-g]quinazolin-4-yloxy)benzamide
CID 169304271
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide;trihydrochloride
CID 91826514
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide
CID 169304253
3-(7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-yloxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 135386044
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 59346396
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyridazine-4-carboxamide
CID 16746041
4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 172907517
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzamide
CID 67348071
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 16745811
4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-hydroxybenzamide
CID 135385738

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide (CID 159506799) is 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide is CCC(=O)Cc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(C)ncn4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(CC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1.CCc1cc(Oc2cc(C(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)ccc2C)ncn1.
What is the InChIKey of 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is MACBBHYSMSPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O3.C30H34F3N5O3.C28H32F3N5O2.C27H30F3N5O2/c1-3-38-10-12-39(13-11-38)18-23-8-9-24(15-26(23)31(32,33)34)37-30(41)22-5-4-20(2)28(14-22)42-29-17-25(35-19-36-29)16-27(40)21-6-7-21;1-4-25(39)15-24-17-28(35-19-34-24)41-27-14-21(7-6-20(27)3)29(40)36-23-9-8-22(26(16-23)30(31,32)33)18-38-12-10-37(5-2)11-13-38;1-4-22-16-26(33-18-32-22)38-25-14-20(7-6-19(25)3)27(37)34-23-9-8-21(24(15-23)28(29,30)31)17-36-12-10-35(5-2)11-13-36;1-4-34-9-11-35(12-10-34)16-21-7-8-22(15-23(21)27(28,29)30)33-26(36)20-6-5-18(2)24(14-20)37-25-13-19(3)31-17-32-25/h4-5,8-9,14-15,17,19,21H,3,6-7,10-13,16,18H2,1-2H3,(H,37,41);6-9,14,16-17,19H,4-5,10-13,15,18H2,1-3H3,(H,36,40);6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,34,37);5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,33,36).
What are the key properties of 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide?
3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 2192.42 g/mol, XLogP of 21.86, 35 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-cyclopropyl-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(6-ethylpyrimidin-4-yl)oxy-4-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(6-methylpyrimidin-4-yl)oxybenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobutyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 159506799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).