2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide

C219H255F8N49O7S10 — CID 167596298

About 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide

2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide (PubChem CID 167596298) has the molecular formula C219H255F8N49O7S10 and a molecular weight of 4158.44 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
• PubChem CID: 167596298
• Molecular Formula: C219H255F8N49O7S10
• Molecular Weight: 4158.44 g/mol
• Exact Mass: 4154.82
• IUPAC Name: 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide
• SMILES: Cc1c(-c2[nH]c3sc(C45CCN(CCS(C)(=O)=O)CC4C5)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc(C4CCC5(CC4)CNCCO5)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(C23CCN(CC(N)=O)CC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CCN(CC(N)=O)CC2C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CCNCC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CN(CC(N)=O)CC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CNCC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C2C3CN(CC(N)=O)CC32)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C2C3CNCC32)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
• InChI: InChI=1S/C27H35N5O2S2.C27H35N5OS.C25H28F2N6OS.C25H30N6OS.C24H26F2N6OS.C24H28N6OS.C23H25F2N5S.C22H23F2N5S.C22H25N5S/c1-15(2)21-22-18(5)24(27-7-8-31(12-19(27)11-27)9-10-36(6,33)34)35-26(22)30-23(21)20-13-32-25(28-14-29-32)17(4)16(20)3;1-15(2)21-22-18(5)24(19-6-8-27(9-7-19)13-28-10-11-33-27)34-26(22)31-23(21)20-12-32-25(29-14-30-32)17(4)16(20)3;1-12(2)18-19-14(4)21(24-5-6-32(10-17(28)34)9-16(24)25(24,26)27)35-23(19)31-20(18)15-7-13(3)22-29-11-30-33(22)8-15;1-13(2)19-20-15(4)22(25-5-6-30(11-18(26)32)10-17(25)8-25)33-24(20)29-21(19)16-7-14(3)23-27-12-28-31(23)9-16;1-11(2)17-18-13(4)20(23-9-31(8-16(27)33)7-15(23)24(23,25)26)34-22(18)30-19(17)14-5-12(3)21-28-10-29-32(21)6-14;1-11(2)18-19-13(4)22(20-15-7-29(8-16(15)20)9-17(25)31)32-24(19)28-21(18)14-5-12(3)23-26-10-27-30(23)6-14;1-11(2)16-17-13(4)19(22-5-6-26-8-15(22)23(22,24)25)31-21(17)29-18(16)14-7-12(3)20-27-10-28-30(20)9-14;1-10(2)15-16-12(4)18(21-8-25-6-14(21)22(21,23)24)30-20(16)28-17(15)13-5-11(3)19-26-9-27-29(19)7-13;1-10(2)16-17-12(4)20(18-14-6-23-7-15(14)18)28-22(17)26-19(16)13-5-11(3)21-24-9-25-27(21)8-13/h13-15,19,30H,7-12H2,1-6H3;12,14-15,19,28,31H,6-11,13H2,1-5H3;7-8,11-12,16,31H,5-6,9-10H2,1-4H3,(H2,28,34);7,9,12-13,17,29H,5-6,8,10-11H2,1-4H3,(H2,26,32);5-6,10-11,15,30H,7-9H2,1-4H3,(H2,27,33);5-6,10-11,15-16,20,28H,7-9H2,1-4H3,(H2,25,31);7,9-11,15,26,29H,5-6,8H2,1-4H3;5,7,9-10,14,25,28H,6,8H2,1-4H3;5,8-10,14-15,18,23,26H,6-7H2,1-4H3
• InChIKey: JCOVNGKPQWUXRW-UHFFFAOYSA-N
• XLogP: 41.87
• TPSA: 693.87 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 52
• Rotatable Bonds: 38
• Heavy Atoms: 293
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4158.44
LogP ≤ 5	41.87
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?

The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide (CID 167596298) is 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide.

What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?

The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide is Cc1c(-c2[nH]c3sc(C45CCN(CCS(C)(=O)=O)CC4C5)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3sc(C4CCC5(CC4)CNCCO5)c(C)c3c2C(C)C)cn2ncnc2c1C.Cc1c(C23CCN(CC(N)=O)CC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CCN(CC(N)=O)CC2C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CCNCC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CN(CC(N)=O)CC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C23CNCC2C3(F)F)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C2C3CN(CC(N)=O)CC32)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cc1c(C2C3CNCC32)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.

What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?

The InChIKey is JCOVNGKPQWUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2S2.C27H35N5OS.C25H28F2N6OS.C25H30N6OS.C24H26F2N6OS.C24H28N6OS.C23H25F2N5S.C22H23F2N5S.C22H25N5S/c1-15(2)21-22-18(5)24(27-7-8-31(12-19(27)11-27)9-10-36(6,33)34)35-26(22)30-23(21)20-13-32-25(28-14-29-32)17(4)16(20)3;1-15(2)21-22-18(5)24(19-6-8-27(9-7-19)13-28-10-11-33-27)34-26(22)31-23(21)20-12-32-25(29-14-30-32)17(4)16(20)3;1-12(2)18-19-14(4)21(24-5-6-32(10-17(28)34)9-16(24)25(24,26)27)35-23(19)31-20(18)15-7-13(3)22-29-11-30-33(22)8-15;1-13(2)19-20-15(4)22(25-5-6-30(11-18(26)32)10-17(25)8-25)33-24(20)29-21(19)16-7-14(3)23-27-12-28-31(23)9-16;1-11(2)17-18-13(4)20(23-9-31(8-16(27)33)7-15(23)24(23,25)26)34-22(18)30-19(17)14-5-12(3)21-28-10-29-32(21)6-14;1-11(2)18-19-13(4)22(20-15-7-29(8-16(15)20)9-17(25)31)32-24(19)28-21(18)14-5-12(3)23-26-10-27-30(23)6-14;1-11(2)16-17-13(4)19(22-5-6-26-8-15(22)23(22,24)25)31-21(17)29-18(16)14-7-12(3)20-27-10-28-30(20)9-14;1-10(2)15-16-12(4)18(21-8-25-6-14(21)22(21,23)24)30-20(16)28-17(15)13-5-11(3)19-26-9-27-29(19)7-13;1-10(2)16-17-12(4)20(18-14-6-23-7-15(14)18)28-22(17)26-19(16)13-5-11(3)21-24-9-25-27(21)8-13/h13-15,19,30H,7-12H2,1-6H3;12,14-15,19,28,31H,6-11,13H2,1-5H3;7-8,11-12,16,31H,5-6,9-10H2,1-4H3,(H2,28,34);7,9,12-13,17,29H,5-6,8,10-11H2,1-4H3,(H2,26,32);5-6,10-11,15,30H,7-9H2,1-4H3,(H2,27,33);5-6,10-11,15-16,20,28H,7-9H2,1-4H3,(H2,25,31);7,9-11,15,26,29H,5-6,8H2,1-4H3;5,7,9-10,14,25,28H,6,8H2,1-4H3;5,8-10,14-15,18,23,26H,6-7H2,1-4H3.

What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide?

2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide has a molecular weight of 4158.44 g/mol, XLogP of 41.87, 38 rotatable bonds, 17 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-1-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;2-[7,7-difluoro-6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6,6-difluoro-1-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide;5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-[3-(2-methylsulfonylethyl)-3-azabicyclo[4.1.0]heptan-6-yl]-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;9-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-1-oxa-4-azaspiro[5.5]undecane;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[4.1.0]heptan-3-yl]acetamide;2-[6-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-3-azabicyclo[3.1.0]hexan-3-yl]acetamide is sourced from PubChem (CID 167596298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).