3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride

C73H91ClF3N15O8S3 — CID 159128927

About 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride

3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 159128927) has the molecular formula C73H91ClF3N15O8S3 and a molecular weight of 1495.28 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride
• PubChem CID: 159128927
• Molecular Formula: C73H91ClF3N15O8S3
• Molecular Weight: 1495.28 g/mol
• Exact Mass: 1493.60
• IUPAC Name: 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(CCN)cc2F)CC1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.Cl
• InChI: InChI=1S/C26H32FN5O3S.C21H24FN5OS.C17H26FN3O2.C9H8N2O2S.ClH/c1-16-5-7-18-21(28)22(36-24(18)30-16)23(33)29-10-9-17-6-8-20(19(27)15-17)31-11-13-32(14-12-31)25(34)35-26(2,3)4;1-13-2-4-15-18(23)19(29-21(15)26-13)20(28)25-7-6-14-3-5-17(16(22)12-14)27-10-8-24-9-11-27;1-17(2,3)23-16(22)21-10-8-20(9-11-21)15-5-4-13(6-7-19)12-14(15)18;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4;/h5-8,15H,9-14,28H2,1-4H3,(H,29,33);2-5,12,24H,6-11,23H2,1H3,(H,25,28);4-5,12H,6-11,19H2,1-3H3;2-3H,10H2,1H3,(H,12,13);1H
• InChIKey: SUSRBXQYIFVHGD-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 319.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1495.28
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride (CID 159128927) is 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride.

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

The canonical SMILES for 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCN(c2ccc(CCN)cc2F)CC1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(F)c3)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.Cl.

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

The InChIKey is SUSRBXQYIFVHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3S.C21H24FN5OS.C17H26FN3O2.C9H8N2O2S.ClH/c1-16-5-7-18-21(28)22(36-24(18)30-16)23(33)29-10-9-17-6-8-20(19(27)15-17)31-11-13-32(14-12-31)25(34)35-26(2,3)4;1-13-2-4-15-18(23)19(29-21(15)26-13)20(28)25-7-6-14-3-5-17(16(22)12-14)27-10-8-24-9-11-27;1-17(2,3)23-16(22)21-10-8-20(9-11-21)15-5-4-13(6-7-19)12-14(15)18;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4;/h5-8,15H,9-14,28H2,1-4H3,(H,29,33);2-5,12,24H,6-11,23H2,1H3,(H,25,28);4-5,12H,6-11,19H2,1-3H3;2-3H,10H2,1H3,(H,12,13);1H.

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

3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 1495.28 g/mol, XLogP of 11.75, 14 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(3-fluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid;tert-butyl 4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2-fluorophenyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 159128927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).