3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride

C108H140BBr2ClN20O13S4 — CID 158321425

About 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride

3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride (PubChem CID 158321425) has the molecular formula C108H140BBr2ClN20O13S4 and a molecular weight of 2260.78 g/mol. Its IUPAC name is 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride
• PubChem CID: 158321425
• Molecular Formula: C108H140BBr2ClN20O13S4
• Molecular Weight: 2260.78 g/mol
• Exact Mass: 2256.79
• IUPAC Name: 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(CCN)cc2)CC1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(N)c2cc1Br.Cc1nc2sc(C(=O)NCCc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(N)c2cc1C1CC1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCNCC4)cc3)c(N)c2cc1C1CC1.Cc1nc2sc(C(=O)O)c(N)c2cc1Br.Cl.OB(O)C1CC1
• InChI: InChI=1S/C29H37N5O3S.C26H32BrN5O3S.C24H29N5OS.C17H27N3O2.C9H7BrN2O2S.C3H7BO2.ClH/c1-18-22(20-7-8-20)17-23-24(30)25(38-27(23)32-18)26(35)31-12-11-19-5-9-21(10-6-19)33-13-15-34(16-14-33)28(36)37-29(2,3)4;1-16-20(27)15-19-21(28)22(36-24(19)30-16)23(33)29-10-9-17-5-7-18(8-6-17)31-11-13-32(14-12-31)25(34)35-26(2,3)4;1-15-19(17-4-5-17)14-20-21(25)22(31-24(20)28-15)23(30)27-9-8-16-2-6-18(7-3-16)29-12-10-26-11-13-29;1-17(2,3)22-16(21)20-12-10-19(11-13-20)15-6-4-14(5-7-15)8-9-18;1-3-5(10)2-4-6(11)7(9(13)14)15-8(4)12-3;5-4(6)3-1-2-3;/h5-6,9-10,17,20H,7-8,11-16,30H2,1-4H3,(H,31,35);5-8,15H,9-14,28H2,1-4H3,(H,29,33);2-3,6-7,14,17,26H,4-5,8-13,25H2,1H3,(H,27,30);4-7H,8-13,18H2,1-3H3;2H,11H2,1H3,(H,13,14);3,5-6H,1-2H2;1H
• InChIKey: LLBURYLNZDLNKO-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 460.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.78
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride?

The IUPAC name of 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride (CID 158321425) is 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride.

What is the SMILES notation for 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride?

The canonical SMILES for 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride is CC(C)(C)OC(=O)N1CCN(c2ccc(CCN)cc2)CC1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(N)c2cc1Br.Cc1nc2sc(C(=O)NCCc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c(N)c2cc1C1CC1.Cc1nc2sc(C(=O)NCCc3ccc(N4CCNCC4)cc3)c(N)c2cc1C1CC1.Cc1nc2sc(C(=O)O)c(N)c2cc1Br.Cl.OB(O)C1CC1.

What is the InChIKey of 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride?

The InChIKey is LLBURYLNZDLNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O3S.C26H32BrN5O3S.C24H29N5OS.C17H27N3O2.C9H7BrN2O2S.C3H7BO2.ClH/c1-18-22(20-7-8-20)17-23-24(30)25(38-27(23)32-18)26(35)31-12-11-19-5-9-21(10-6-19)33-13-15-34(16-14-33)28(36)37-29(2,3)4;1-16-20(27)15-19-21(28)22(36-24(19)30-16)23(33)29-10-9-17-5-7-18(8-6-17)31-11-13-32(14-12-31)25(34)35-26(2,3)4;1-15-19(17-4-5-17)14-20-21(25)22(31-24(20)28-15)23(30)27-9-8-16-2-6-18(7-3-16)29-12-10-26-11-13-29;1-17(2,3)22-16(21)20-12-10-19(11-13-20)15-6-4-14(5-7-15)8-9-18;1-3-5(10)2-4-6(11)7(9(13)14)15-8(4)12-3;5-4(6)3-1-2-3;/h5-6,9-10,17,20H,7-8,11-16,30H2,1-4H3,(H,31,35);5-8,15H,9-14,28H2,1-4H3,(H,29,33);2-3,6-7,14,17,26H,4-5,8-13,25H2,1H3,(H,27,30);4-7H,8-13,18H2,1-3H3;2H,11H2,1H3,(H,13,14);3,5-6H,1-2H2;1H.

What are the key properties of 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride?

3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride has a molecular weight of 2260.78 g/mol, XLogP of 18.46, 22 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;3-amino-5-cyclopropyl-6-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;tert-butyl 4-[4-[2-[(3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-5-cyclopropyl-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(2-aminoethyl)phenyl]piperazine-1-carboxylate;cyclopropylboronic acid;hydrochloride is sourced from PubChem (CID 158321425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).