N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid

C106H112Br2F18N16O13S2 — CID 158008628

IUPACN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid
SMILESCCOC(=O)c1ccc(CBr)c(C(F)(F)F)c1.CCOC(=O)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1.CN1CCNCC1.Cc1ccc(C(=O)O)cc1C(F)(F)F.Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N6O2S.C16H21F3N2O2.C14H17F3N2O2.C14H12N4OS.C11H10BrF3O2.C9H6BrF3O2.C9H7F3O2.C5H12N2/c1-17-3-6-20(14-22(17)35-26(39)24-15-23-27(40-24)33-8-7-32-23)34-25(38)18-4-5-19(21(13-18)28(29,30)31)16-37-11-9-36(2)10-12-37;1-3-23-15(22)12-4-5-13(14(10-12)16(17,18)19)11-21-8-6-20(2)7-9-21;1-18-4-6-19(7-5-18)9-11-3-2-10(13(20)21)8-12(11)14(15,16)17;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-2-17-10(16)7-3-4-8(6-12)9(5-7)11(13,14)15;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13;1-5-2-3-6(8(13)14)4-7(5)9(10,11)12;1-7-4-2-6-3-5-7/h3-8,13-15H,9-12,16H2,1-2H3,(H,34,38)(H,35,39);4-5,10H,3,6-9,11H2,1-2H3;2-3,8H,4-7,9H2,1H3,(H,20,21);2-7H,15H2,1H3,(H,18,19);3-5H,2,6H2,1H3;1-3H,4H2,(H,14,15);2-4H,1H3,(H,13,14);6H,2-5H2,1H3
InChIKeyFEPNVHSEFIMGLS-UHFFFAOYSA-N
MW2384.07 g/mol
LogP22.19
Rot. Bonds21

About N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid (PubChem CID 158008628) has the molecular formula C106H112Br2F18N16O13S2 and a molecular weight of 2384.07 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid
PubChem CID158008628
Molecular FormulaC106H112Br2F18N16O13S2
Molecular Weight2384.07 g/mol
Exact Mass2380.61
IUPAC NameN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid
SMILESCCOC(=O)c1ccc(CBr)c(C(F)(F)F)c1.CCOC(=O)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1.CN1CCNCC1.Cc1ccc(C(=O)O)cc1C(F)(F)F.Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N6O2S.C16H21F3N2O2.C14H17F3N2O2.C14H12N4OS.C11H10BrF3O2.C9H6BrF3O2.C9H7F3O2.C5H12N2/c1-17-3-6-20(14-22(17)35-26(39)24-15-23-27(40-24)33-8-7-32-23)34-25(38)18-4-5-19(21(13-18)28(29,30)31)16-37-11-9-36(2)10-12-37;1-3-23-15(22)12-4-5-13(14(10-12)16(17,18)19)11-21-8-6-20(2)7-9-21;1-18-4-6-19(7-5-18)9-11-3-2-10(13(20)21)8-12(11)14(15,16)17;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-2-17-10(16)7-3-4-8(6-12)9(5-7)11(13,14)15;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13;1-5-2-3-6(8(13)14)4-7(5)9(10,11)12;1-7-4-2-6-3-5-7/h3-8,13-15H,9-12,16H2,1-2H3,(H,34,38)(H,35,39);4-5,10H,3,6-9,11H2,1-2H3;2-3,8H,4-7,9H2,1H3,(H,20,21);2-7H,15H2,1H3,(H,18,19);3-5H,2,6H2,1H3;1-3H,4H2,(H,14,15);2-4H,1H3,(H,13,14);6H,2-5H2,1H3
InChIKeyFEPNVHSEFIMGLS-UHFFFAOYSA-N
XLogP22.19
TPSA364.09 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002384.07
LogP ≤ 522.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid with MolForge

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Related Compounds

methyl 3-amino-4-methylbenzoate;methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate;4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid;N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;thieno[2,3-b]pyrazine-6-carboxylic acid;3-(trifluoromethyl)aniline
CID 158912016
4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)
CID 158841121
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;methyl 3-bromobenzoate;methyl 3-thiophen-3-ylbenzoate;N-[2-methyl-5-[(3-thiophen-3-ylbenzoyl)amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
CID 160600075
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;3-(4-cyanooxan-4-yl)benzoic acid;N-[5-[[3-(4-cyanooxan-4-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;methane;methyl 3-(cyanomethyl)benzoate;methyl 3-(4-cyanooxan-4-yl)benzoate
CID 160749586
lithium;methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate;5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylic acid;5-(morpholin-4-ylmethyl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;hydroxide
CID 160867594
N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride
CID 161475976
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;1-bromo-2-chloroethane;3-(1-cyanocyclopropyl)benzoic acid;N-[5-[[3-(1-cyanocyclopropyl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;methane;methyl 3-(1-cyanocyclopropyl)benzoate;methyl 3-(cyanomethyl)benzoate;hydrochloride
CID 161763398

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid?
The IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid (CID 158008628) is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid is CCOC(=O)c1ccc(CBr)c(C(F)(F)F)c1.CCOC(=O)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1.CN1CCNCC1.Cc1ccc(C(=O)O)cc1C(F)(F)F.Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid?
The InChIKey is FEPNVHSEFIMGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2S.C16H21F3N2O2.C14H17F3N2O2.C14H12N4OS.C11H10BrF3O2.C9H6BrF3O2.C9H7F3O2.C5H12N2/c1-17-3-6-20(14-22(17)35-26(39)24-15-23-27(40-24)33-8-7-32-23)34-25(38)18-4-5-19(21(13-18)28(29,30)31)16-37-11-9-36(2)10-12-37;1-3-23-15(22)12-4-5-13(14(10-12)16(17,18)19)11-21-8-6-20(2)7-9-21;1-18-4-6-19(7-5-18)9-11-3-2-10(13(20)21)8-12(11)14(15,16)17;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-2-17-10(16)7-3-4-8(6-12)9(5-7)11(13,14)15;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13;1-5-2-3-6(8(13)14)4-7(5)9(10,11)12;1-7-4-2-6-3-5-7/h3-8,13-15H,9-12,16H2,1-2H3,(H,34,38)(H,35,39);4-5,10H,3,6-9,11H2,1-2H3;2-3,8H,4-7,9H2,1H3,(H,20,21);2-7H,15H2,1H3,(H,18,19);3-5H,2,6H2,1H3;1-3H,4H2,(H,14,15);2-4H,1H3,(H,13,14);6H,2-5H2,1H3.
What are the key properties of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid?
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid has a molecular weight of 2384.07 g/mol, XLogP of 22.19, 21 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;ethyl 4-(bromomethyl)-3-(trifluoromethyl)benzoate;ethyl 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate;N-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;4-methyl-3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 158008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).