3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate

C103H118F8N16O11S4 — CID 159883520

About 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate

3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate (PubChem CID 159883520) has the molecular formula C103H118F8N16O11S4 and a molecular weight of 2036.43 g/mol. Its IUPAC name is 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate
• PubChem CID: 159883520
• Molecular Formula: C103H118F8N16O11S4
• Molecular Weight: 2036.43 g/mol
• Exact Mass: 2034.79
• IUPAC Name: 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC=C(c2cc(F)c(CCN)cc2F)CC1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(C4CCNCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1
• InChI: InChI=1S/C27H32F2N4O3S.C27H30F2N4O3S.C22H24F2N4OS.C18H24F2N2O2.C9H8N2O2S/c2*1-15-5-6-18-22(30)23(37-25(18)32-15)24(34)31-10-7-17-13-21(29)19(14-20(17)28)16-8-11-33(12-9-16)26(35)36-27(2,3)4;1-12-2-3-15-19(25)20(30-22(15)28-12)21(29)27-9-6-14-10-18(24)16(11-17(14)23)13-4-7-26-8-5-13;1-18(2,3)24-17(23)22-8-5-12(6-9-22)14-11-15(19)13(4-7-21)10-16(14)20;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5-6,13-14,16H,7-12,30H2,1-4H3,(H,31,34);5-6,8,13-14H,7,9-12,30H2,1-4H3,(H,31,34);2-3,10-11,13,26H,4-9,25H2,1H3,(H,27,29);5,10-11H,4,6-9,21H2,1-3H3;2-3H,10H2,1H3,(H,12,13)
• InChIKey: NTVLRDLJJBEWCY-UHFFFAOYSA-N
• XLogP: 20.29
• TPSA: 406.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2036.43
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate?

The IUPAC name of 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate (CID 159883520) is 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate.

What is the SMILES notation for 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate?

The canonical SMILES for 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2cc(F)c(CCN)cc2F)CC1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(C4CCN(C(=O)OC(C)(C)C)CC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(C4CCNCC4)cc3F)sc2n1.Cc1ccc2c(N)c(C(=O)O)sc2n1.

What is the InChIKey of 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate?

The InChIKey is NTVLRDLJJBEWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O3S.C27H30F2N4O3S.C22H24F2N4OS.C18H24F2N2O2.C9H8N2O2S/c2*1-15-5-6-18-22(30)23(37-25(18)32-15)24(34)31-10-7-17-13-21(29)19(14-20(17)28)16-8-11-33(12-9-16)26(35)36-27(2,3)4;1-12-2-3-15-19(25)20(30-22(15)28-12)21(29)27-9-6-14-10-18(24)16(11-17(14)23)13-4-7-26-8-5-13;1-18(2,3)24-17(23)22-8-5-12(6-9-22)14-11-15(19)13(4-7-21)10-16(14)20;1-4-2-3-5-6(10)7(9(12)13)14-8(5)11-4/h5-6,13-14,16H,7-12,30H2,1-4H3,(H,31,34);5-6,8,13-14H,7,9-12,30H2,1-4H3,(H,31,34);2-3,10-11,13,26H,4-9,25H2,1H3,(H,27,29);5,10-11H,4,6-9,21H2,1-3H3;2-3H,10H2,1H3,(H,12,13).

What are the key properties of 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate?

3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate has a molecular weight of 2036.43 g/mol, XLogP of 20.29, 19 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-(2,5-difluoro-4-piperidin-4-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)-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl]-2,5-difluorophenyl]piperidine-1-carboxylate is sourced from PubChem (CID 159883520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).