7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride

C76H87ClN18O8S3 — CID 160931882

About 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride

7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 160931882) has the molecular formula C76H87ClN18O8S3 and a molecular weight of 1512.30 g/mol. Its IUPAC name is 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride
• PubChem CID: 160931882
• Molecular Formula: C76H87ClN18O8S3
• Molecular Weight: 1512.30 g/mol
• Exact Mass: 1510.58
• IUPAC Name: 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride
• SMILES: Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCN(C(=O)OCc5ccccc5)CC4)cc3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1.Cc1cnc2c(N)c(C(=O)O)sc2n1.Cl.NCCc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1
• InChI: InChI=1S/C28H30N6O3S.C20H24N6OS.C20H25N3O2.C8H7N3O2S.ClH/c1-19-17-31-24-23(29)25(38-27(24)32-19)26(35)30-12-11-20-7-9-22(10-8-20)33-13-15-34(16-14-33)28(36)37-18-21-5-3-2-4-6-21;1-13-12-24-17-16(21)18(28-20(17)25-13)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26;21-11-10-17-6-8-19(9-7-17)22-12-14-23(15-13-22)20(24)25-16-18-4-2-1-3-5-18;1-3-2-10-5-4(9)6(8(12)13)14-7(5)11-3;/h2-10,17H,11-16,18,29H2,1H3,(H,30,35);2-5,12,22H,6-11,21H2,1H3,(H,23,27);1-9H,10-16,21H2;2H,9H2,1H3,(H,12,13);1H
• InChIKey: IPJFQYOJQUAIDX-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 357.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1512.30
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride?

The IUPAC name of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride (CID 160931882) is 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride.

What is the SMILES notation for 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride?

The canonical SMILES for 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride is Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCN(C(=O)OCc5ccccc5)CC4)cc3)sc2n1.Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1.Cc1cnc2c(N)c(C(=O)O)sc2n1.Cl.NCCc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1.

What is the InChIKey of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride?

The InChIKey is IPJFQYOJQUAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3S.C20H24N6OS.C20H25N3O2.C8H7N3O2S.ClH/c1-19-17-31-24-23(29)25(38-27(24)32-19)26(35)30-12-11-20-7-9-22(10-8-20)33-13-15-34(16-14-33)28(36)37-18-21-5-3-2-4-6-21;1-13-12-24-17-16(21)18(28-20(17)25-13)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26;21-11-10-17-6-8-19(9-7-17)22-12-14-23(15-13-22)20(24)25-16-18-4-2-1-3-5-18;1-3-2-10-5-4(9)6(8(12)13)14-7(5)11-3;/h2-10,17H,11-16,18,29H2,1H3,(H,30,35);2-5,12,22H,6-11,21H2,1H3,(H,23,27);1-9H,10-16,21H2;2H,9H2,1H3,(H,12,13);1H.

What are the key properties of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride?

7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 1512.30 g/mol, XLogP of 10.33, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide;7-amino-3-methylthieno[2,3-b]pyrazine-6-carboxylic acid;benzyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;benzyl 4-[4-[2-[(7-amino-3-methylthieno[2,3-b]pyrazine-6-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 160931882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).