About tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (PubChem CID 157343316) has the molecular formula C134H161F10N17O15S10
and a molecular weight of 2760.52 g/mol. Its IUPAC name is tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The IUPAC name of tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CID 157343316) is tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
What is the SMILES notation for tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The canonical SMILES for tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCN(CC(F)(F)F)C3)sc2c1CCCC2.CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCN(CCC(F)(F)F)C3)sc2c1CCCC2.CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCN(CCF)C3)sc2c1CCCC2.CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(C(F)(F)F)sc3c2CCCC3)sc2c1CCC2.CCOC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCCCC3)sc2c1CCCC2.
What is the InChIKey of tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The InChIKey is BGQTWDLQZYGKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N4O3S2.C28H33F3N4O3S2.C28H35FN4O3S2.C26H31N3O3S2.C23H27F3N2O3S2/c1-28(2,3)39-26(37)23-19-8-4-5-9-21(19)40-24(23)34-27(38)33-16-20-18-10-14-35(15-11-29(30,31)32)17-22(18)41-25(20)36-12-6-7-13-36;1-27(2,3)38-25(36)22-18-8-4-5-9-20(18)39-23(22)33-26(37)32-14-19-17-10-13-34(16-28(29,30)31)15-21(17)40-24(19)35-11-6-7-12-35;1-28(2,3)36-26(34)23-19-8-4-5-9-21(19)37-24(23)31-27(35)30-16-20-18-10-14-32(15-11-29)17-22(18)38-25(20)33-12-6-7-13-33;1-2-32-25(30)22-18-11-6-7-13-21(18)33-23(22)28-26(31)27-16-19-17-10-4-3-5-12-20(17)34-24(19)29-14-8-9-15-29;1-22(2,3)31-20(29)17-13-8-6-10-16(13)33-19(17)28-21(30)27-11-14-12-7-4-5-9-15(12)32-18(14)23(24,25)26/h6-7,12-13H,4-5,8-11,14-17H2,1-3H3,(H2,33,34,38);6-7,11-12H,4-5,8-10,13-16H2,1-3H3,(H2,32,33,37);6-7,12-13H,4-5,8-11,14-17H2,1-3H3,(H2,30,31,35);8-9,14-15H,2-7,10-13,16H2,1H3,(H2,27,28,31);4-11H2,1-3H3,(H2,27,28,30).
What are the key properties of tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has a molecular weight of 2760.52 g/mol, XLogP of 32.55, 30 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-(2-fluoroethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-pyrrol-1-yl-6-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;ethyl 2-[(2-pyrrol-1-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 157343316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).