3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane

C141H164F8N24O6S6 — CID 157376210

About 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane (PubChem CID 157376210) has the molecular formula C141H164F8N24O6S6 and a molecular weight of 2635.41 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane.

Molecular Properties

• Compound Name: 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane
• PubChem CID: 157376210
• Molecular Formula: C141H164F8N24O6S6
• Molecular Weight: 2635.41 g/mol
• Exact Mass: 2633.15
• IUPAC Name: 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane
• SMILES: CC[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CCc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CC2CC(C2)C1.CCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.CCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1cc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2nc1C.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CC(C5)C4)c(F)c3)sc2c1.N
• InChI: InChI=1S/C25H30N4OS.C24H25F2N3OS.3C23H26F2N4OS.C23H28N4OS.H3N/c1-3-19-12-16(5-7-21(19)29-13-17-10-18(11-17)14-29)8-9-27-24(30)23-22(26)20-6-4-15(2)28-25(20)31-23;1-13-2-3-17-20(6-13)31-23(21(17)27)24(30)28-5-4-14-9-18(25)22(19(26)10-14)29-11-15-7-16(8-15)12-29;1-13-10-16-20(26)21(31-23(16)28-14(13)2)22(30)27-7-6-15-11-18(25)19(12-17(15)24)29-8-4-3-5-9-29;1-3-14-7-9-29(12-14)19-11-17(24)15(10-18(19)25)6-8-27-22(30)21-20(26)16-5-4-13(2)28-23(16)31-21;1-2-15-6-7-16-20(26)21(31-23(16)28-15)22(30)27-9-8-14-12-18(25)19(13-17(14)24)29-10-4-3-5-11-29;1-2-17-8-11-19-20(24)21(29-23(19)26-17)22(28)25-13-12-16-6-9-18(10-7-16)27-14-4-3-5-15-27;/h4-7,12,17-18H,3,8-11,13-14,26H2,1-2H3,(H,27,30);2-3,6,9-10,15-16H,4-5,7-8,11-12,27H2,1H3,(H,28,30);10-12H,3-9,26H2,1-2H3,(H,27,30);4-5,10-11,14H,3,6-9,12,26H2,1-2H3,(H,27,30);6-7,12-13H,2-5,8-11,26H2,1H3,(H,27,30);6-11H,2-5,12-15,24H2,1H3,(H,25,28);1H3/t;;;14-;;;/m...1.../s1
• InChIKey: GZDYMCBQLGGXFL-FOGZXJSXSA-N
• XLogP: 28.11
• TPSA: 449.61 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2635.41
LogP ≤ 5	28.11
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane?

The IUPAC name of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane (CID 157376210) is 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane.

What is the SMILES notation for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane?

The canonical SMILES for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane is CC[C@@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1.CCc1cc(CCNC(=O)c2sc3nc(C)ccc3c2N)ccc1N1CC2CC(C2)C1.CCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2n1.CCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCCC4)cc3)sc2n1.Cc1cc2c(N)c(C(=O)NCCc3cc(F)c(N4CCCCC4)cc3F)sc2nc1C.Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CC5CC(C5)C4)c(F)c3)sc2c1.N.

What is the InChIKey of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane?

The InChIKey is GZDYMCBQLGGXFL-FOGZXJSXSA-N. The full InChI is InChI=1S/C25H30N4OS.C24H25F2N3OS.3C23H26F2N4OS.C23H28N4OS.H3N/c1-3-19-12-16(5-7-21(19)29-13-17-10-18(11-17)14-29)8-9-27-24(30)23-22(26)20-6-4-15(2)28-25(20)31-23;1-13-2-3-17-20(6-13)31-23(21(17)27)24(30)28-5-4-14-9-18(25)22(19(26)10-14)29-11-15-7-16(8-15)12-29;1-13-10-16-20(26)21(31-23(16)28-14(13)2)22(30)27-7-6-15-11-18(25)19(12-17(15)24)29-8-4-3-5-9-29;1-3-14-7-9-29(12-14)19-11-17(24)15(10-18(19)25)6-8-27-22(30)21-20(26)16-5-4-13(2)28-23(16)31-21;1-2-15-6-7-16-20(26)21(31-23(16)28-15)22(30)27-9-8-14-12-18(25)19(13-17(14)24)29-10-4-3-5-11-29;1-2-17-8-11-19-20(24)21(29-23(19)26-17)22(28)25-13-12-16-6-9-18(10-7-16)27-14-4-3-5-15-27;/h4-7,12,17-18H,3,8-11,13-14,26H2,1-2H3,(H,27,30);2-3,6,9-10,15-16H,4-5,7-8,11-12,27H2,1H3,(H,28,30);10-12H,3-9,26H2,1-2H3,(H,27,30);4-5,10-11,14H,3,6-9,12,26H2,1-2H3,(H,27,30);6-7,12-13H,2-5,8-11,26H2,1H3,(H,27,30);6-11H,2-5,12-15,24H2,1H3,(H,25,28);1H3/t;;;14-;;;/m...1.../s1.

What are the key properties of 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane?

3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane has a molecular weight of 2635.41 g/mol, XLogP of 28.11, 34 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3,5-difluorophenyl]ethyl]-6-methyl-1-benzothiophene-2-carboxamide;3-amino-N-[2-[4-(3-azabicyclo[3.1.1]heptan-3-yl)-3-ethylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-5,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-(2,5-difluoro-4-piperidin-1-ylphenyl)ethyl]-6-ethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[4-[(3R)-3-ethylpyrrolidin-1-yl]-2,5-difluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;azane is sourced from PubChem (CID 157376210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).