N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid

C92H121ClN24O18S2 — CID 159076765

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.COC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCNCC2)cn1
InChIInChI=1S/C29H36N6O5S.C19H20N6OS.C15H22N4O4.C14H20N4O4.C9H18N2O2.C6H5ClN2O2/c1-28(2,3)39-26(37)33-20-10-9-19(23-8-7-15-41-23)16-21(20)32-25(36)22-17-31-24(18-30-22)34-11-13-35(14-12-34)27(38)40-29(4,5)6;20-14-4-3-13(17-2-1-9-27-17)10-15(14)24-19(26)16-11-23-18(12-22-16)25-7-5-21-6-8-25;1-15(2,3)23-14(21)19-7-5-18(6-8-19)12-10-16-11(9-17-12)13(20)22-4;1-14(2,3)22-13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-11-6(10)4-2-9-5(7)3-8-4/h7-10,15-18H,11-14H2,1-6H3,(H,32,36)(H,33,37);1-4,9-12,21H,5-8,20H2,(H,24,26);9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3,(H,19,20);10H,4-7H2,1-3H3;2-3H,1H3
InChIKeyKAIQPUGTIVWURD-UHFFFAOYSA-N
MW1950.72 g/mol
LogP12.61
Rot. Bonds14

About N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid

N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 159076765) has the molecular formula C92H121ClN24O18S2 and a molecular weight of 1950.72 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID159076765
Molecular FormulaC92H121ClN24O18S2
Molecular Weight1950.72 g/mol
Exact Mass1948.84
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.COC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCNCC2)cn1
InChIInChI=1S/C29H36N6O5S.C19H20N6OS.C15H22N4O4.C14H20N4O4.C9H18N2O2.C6H5ClN2O2/c1-28(2,3)39-26(37)33-20-10-9-19(23-8-7-15-41-23)16-21(20)32-25(36)22-17-31-24(18-30-22)34-11-13-35(14-12-34)27(38)40-29(4,5)6;20-14-4-3-13(17-2-1-9-27-17)10-15(14)24-19(26)16-11-23-18(12-22-16)25-7-5-21-6-8-25;1-15(2,3)23-14(21)19-7-5-18(6-8-19)12-10-16-11(9-17-12)13(20)22-4;1-14(2,3)22-13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-11-6(10)4-2-9-5(7)3-8-4/h7-10,15-18H,11-14H2,1-6H3,(H,32,36)(H,33,37);1-4,9-12,21H,5-8,20H2,(H,24,26);9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3,(H,19,20);10H,4-7H2,1-3H3;2-3H,1H3
InChIKeyKAIQPUGTIVWURD-UHFFFAOYSA-N
XLogP12.61
TPSA496.53 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds14
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001950.72
LogP ≤ 512.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide;N-(2-amino-5-thiophen-2-ylphenyl)-2-(piperidin-4-ylamino)pyrimidine-5-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride
CID 157927852
N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc
CID 159430645
2-(2-Amino-5-thiophen-2-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 161247636
2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylate
CID 161637693

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid (CID 159076765) is N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.COC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCNCC2)cn1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is KAIQPUGTIVWURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O5S.C19H20N6OS.C15H22N4O4.C14H20N4O4.C9H18N2O2.C6H5ClN2O2/c1-28(2,3)39-26(37)33-20-10-9-19(23-8-7-15-41-23)16-21(20)32-25(36)22-17-31-24(18-30-22)34-11-13-35(14-12-34)27(38)40-29(4,5)6;20-14-4-3-13(17-2-1-9-27-17)10-15(14)24-19(26)16-11-23-18(12-22-16)25-7-5-21-6-8-25;1-15(2,3)23-14(21)19-7-5-18(6-8-19)12-10-16-11(9-17-12)13(20)22-4;1-14(2,3)22-13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-11-6(10)4-2-9-5(7)3-8-4/h7-10,15-18H,11-14H2,1-6H3,(H,32,36)(H,33,37);1-4,9-12,21H,5-8,20H2,(H,24,26);9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3,(H,19,20);10H,4-7H2,1-3H3;2-3H,1H3.
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 1950.72 g/mol, XLogP of 12.61, 14 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 159076765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).