4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide

C188H172ClF15N22O12S6 — CID 158428969

IUPAC4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide
SMILESCCN1CCN(Cc2ccc(C(=O)Cc3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1CC(=O)c1cncc(-c2cccs2)c1.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1CC(=O)c1cncc(-c2cccs2)c1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C34H34F3N3O2S.C32H30ClF3N4O2S.C32H31F3N4O2S.C31H29F3N4O2S.C30H23F3N4O2S.C29H25N3O2S/c1-3-39-10-12-40(13-11-39)22-26-9-8-25(18-30(26)34(35,36)37)31(41)16-24-7-6-23(2)27(15-24)19-32(42)28-17-29(21-38-20-28)33-5-4-14-43-33;1-2-39-9-11-40(12-10-39)20-22-5-7-26(17-27(22)32(34,35)36)38-31(42)21-6-8-28(33)23(14-21)16-29(41)24-15-25(19-37-18-24)30-4-3-13-43-30;1-3-38-10-12-39(13-11-38)28-9-8-26(18-27(28)32(33,34)35)37-31(41)22-7-6-21(2)23(15-22)17-29(40)24-16-25(20-36-19-24)30-5-4-14-42-30;1-20-5-6-21(12-22(20)14-28(39)23-13-24(19-35-18-23)29-4-3-11-41-29)30(40)36-26-15-25(31(32,33)34)16-27(17-26)38-9-7-37(2)8-10-38;1-18-5-6-20(8-21(18)10-27(38)22-9-23(15-34-14-22)28-4-3-7-40-28)29(39)36-25-11-24(30(31,32)33)12-26(13-25)37-16-19(2)35-17-37;1-19-9-10-20(28(34)32-25-7-4-6-24(15-25)29(2,3)18-30)12-21(19)14-26(33)22-13-23(17-31-16-22)27-8-5-11-35-27/h4-9,14-15,17-18,20-21H,3,10-13,16,19,22H2,1-2H3;3-8,13-15,17-19H,2,9-12,16,20H2,1H3,(H,38,42);4-9,14-16,18-20H,3,10-13,17H2,1-2H3,(H,37,41);3-6,11-13,15-19H,7-10,14H2,1-2H3,(H,36,40);3-9,11-17H,10H2,1-2H3,(H,36,39);4-13,15-17H,14H2,1-3H3,(H,32,34)
InChIKeyHBKLSWJMCVHZRX-UHFFFAOYSA-N
MW3444.41 g/mol
LogP41.85
Rot. Bonds48

About 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide

4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide (PubChem CID 158428969) has the molecular formula C188H172ClF15N22O12S6 and a molecular weight of 3444.41 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide
PubChem CID158428969
Molecular FormulaC188H172ClF15N22O12S6
Molecular Weight3444.41 g/mol
Exact Mass3441.13
IUPAC Name4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide
SMILESCCN1CCN(Cc2ccc(C(=O)Cc3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1CC(=O)c1cncc(-c2cccs2)c1.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1CC(=O)c1cncc(-c2cccs2)c1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C34H34F3N3O2S.C32H30ClF3N4O2S.C32H31F3N4O2S.C31H29F3N4O2S.C30H23F3N4O2S.C29H25N3O2S/c1-3-39-10-12-40(13-11-39)22-26-9-8-25(18-30(26)34(35,36)37)31(41)16-24-7-6-23(2)27(15-24)19-32(42)28-17-29(21-38-20-28)33-5-4-14-43-33;1-2-39-9-11-40(12-10-39)20-22-5-7-26(17-27(22)32(34,35)36)38-31(42)21-6-8-28(33)23(14-21)16-29(41)24-15-25(19-37-18-24)30-4-3-13-43-30;1-3-38-10-12-39(13-11-38)28-9-8-26(18-27(28)32(33,34)35)37-31(41)22-7-6-21(2)23(15-22)17-29(40)24-16-25(20-36-19-24)30-5-4-14-42-30;1-20-5-6-21(12-22(20)14-28(39)23-13-24(19-35-18-23)29-4-3-11-41-29)30(40)36-26-15-25(31(32,33)34)16-27(17-26)38-9-7-37(2)8-10-38;1-18-5-6-20(8-21(18)10-27(38)22-9-23(15-34-14-22)28-4-3-7-40-28)29(39)36-25-11-24(30(31,32)33)12-26(13-25)37-16-19(2)35-17-37;1-19-9-10-20(28(34)32-25-7-4-6-24(15-25)29(2,3)18-30)12-21(19)14-26(33)22-13-23(17-31-16-22)27-8-5-11-35-27/h4-9,14-15,17-18,20-21H,3,10-13,16,19,22H2,1-2H3;3-8,13-15,17-19H,2,9-12,16,20H2,1H3,(H,38,42);4-9,14-16,18-20H,3,10-13,17H2,1-2H3,(H,37,41);3-6,11-13,15-19H,7-10,14H2,1-2H3,(H,36,40);3-9,11-17H,10H2,1-2H3,(H,36,39);4-13,15-17H,14H2,1-3H3,(H,32,34)
InChIKeyHBKLSWJMCVHZRX-UHFFFAOYSA-N
XLogP41.85
TPSA409.86 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds48
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003444.41
LogP ≤ 541.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide
CID 159854692
4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide
CID 160875349
6-(2-chloro-4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159663680
6-(2-chlorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one;6-(3-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(6-(4-methylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);6-phenyl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 160469142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide (CID 158428969) is 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide is CCN1CCN(Cc2ccc(C(=O)Cc3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1CC(=O)c1cncc(-c2cccs2)c1.Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1CC(=O)c1cncc(-c2cccs2)c1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(CC(=O)c4cncc(-c5cccs5)c4)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide?
The InChIKey is HBKLSWJMCVHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3N3O2S.C32H30ClF3N4O2S.C32H31F3N4O2S.C31H29F3N4O2S.C30H23F3N4O2S.C29H25N3O2S/c1-3-39-10-12-40(13-11-39)22-26-9-8-25(18-30(26)34(35,36)37)31(41)16-24-7-6-23(2)27(15-24)19-32(42)28-17-29(21-38-20-28)33-5-4-14-43-33;1-2-39-9-11-40(12-10-39)20-22-5-7-26(17-27(22)32(34,35)36)38-31(42)21-6-8-28(33)23(14-21)16-29(41)24-15-25(19-37-18-24)30-4-3-13-43-30;1-3-38-10-12-39(13-11-38)28-9-8-26(18-27(28)32(33,34)35)37-31(41)22-7-6-21(2)23(15-22)17-29(40)24-16-25(20-36-19-24)30-5-4-14-42-30;1-20-5-6-21(12-22(20)14-28(39)23-13-24(19-35-18-23)29-4-3-11-41-29)30(40)36-26-15-25(31(32,33)34)16-27(17-26)38-9-7-37(2)8-10-38;1-18-5-6-20(8-21(18)10-27(38)22-9-23(15-34-14-22)28-4-3-7-40-28)29(39)36-25-11-24(30(31,32)33)12-26(13-25)37-16-19(2)35-17-37;1-19-9-10-20(28(34)32-25-7-4-6-24(15-25)29(2,3)18-30)12-21(19)14-26(33)22-13-23(17-31-16-22)27-8-5-11-35-27/h4-9,14-15,17-18,20-21H,3,10-13,16,19,22H2,1-2H3;3-8,13-15,17-19H,2,9-12,16,20H2,1H3,(H,38,42);4-9,14-16,18-20H,3,10-13,17H2,1-2H3,(H,37,41);3-6,11-13,15-19H,7-10,14H2,1-2H3,(H,36,40);3-9,11-17H,10H2,1-2H3,(H,36,39);4-13,15-17H,14H2,1-3H3,(H,32,34).
What are the key properties of 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide?
4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide has a molecular weight of 3444.41 g/mol, XLogP of 41.85, 48 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;N-[3-(2-cyanopropan-2-yl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;N-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 158428969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).