About 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide
1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 158658149) has the molecular formula C156H150F9N17O22S2
and a molecular weight of 2850.13 g/mol. Its IUPAC name is 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide (CID 158658149) is 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide is CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(COC)c(-c3cccc(C(=O)CC45CC(C4)C5)c3)cc12.CCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC23CC(C2)C3)c1)S(C)(=O)=O.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(N(CC(F)(F)F)S(C)(=O)=O)c(-c3cccc(C(=O)NC45CC(C4)C5)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cc(C(=O)NC45CC(C4)C5)ccc3OC)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12.
What is the InChIKey of 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ICKIUQCELOBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O4.C31H29F3N4O5S.C31H29F3N4O4.C31H32N4O5S.C30H28F3N5O4/c1-4-28(34)31-27-14-26(23-6-5-7-24(12-23)29(35)18-33-15-21(16-33)17-33)25(19-36-3)13-30(27)37-32(31)22-10-8-20(2)9-11-22;1-17-7-9-19(10-8-17)25-24(28(40)35-2)23-12-22(26(36-29(23)43-25)38(44(3,41)42)16-31(32,33)34)20-5-4-6-21(11-20)27(39)37-30-13-18(14-30)15-30;1-16-4-6-18(7-5-16)25-24(28(40)35-2)22-11-21(26(37-29(22)42-25)36-15-31(32,33)34)20-10-19(8-9-23(20)41-3)27(39)38-30-12-17(13-30)14-30;1-5-35(41(4,38)39)27-23(21-7-6-8-22(13-21)28(36)34-31-15-19(16-31)17-31)14-24-25(29(37)32-3)26(40-30(24)33-27)20-11-9-18(2)10-12-20;1-15-4-6-17(7-5-15)23-22(26(40)34-2)20-9-19(24(37-28(20)42-23)36-14-30(31,32)33)18-8-21(27(41-3)35-13-18)25(39)38-29-10-16(11-29)12-29/h5-14,21H,4,15-19H2,1-3H3;4-12,18H,13-16H2,1-3H3,(H,35,40)(H,37,39);4-11,17H,12-15H2,1-3H3,(H,35,40)(H,36,37)(H,38,39);6-14,19H,5,15-17H2,1-4H3,(H,32,37)(H,34,36);4-9,13,16H,10-12,14H2,1-3H3,(H,34,40)(H,36,37)(H,38,39).
What are the key properties of 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide?
1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 2850.13 g/mol, XLogP of 30.11, 41 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-6-(methoxymethyl)-2-(4-methylphenyl)-1-benzofuran-3-yl]propan-1-one;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-2-methoxyphenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl(2,2,2-trifluoroethyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158658149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).