About [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium
[7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium (PubChem CID 158102810) has the molecular formula C162H167Cl7F2N15O16S7+
and a molecular weight of 3090.84 g/mol. Its IUPAC name is [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium.
Frequently Asked Questions
What is the IUPAC name of [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium?
The IUPAC name of [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium (CID 158102810) is [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium.
What is the SMILES notation for [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium?
The canonical SMILES for [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium is C=[N+]=N[C@H]1CNC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CO)sc12.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCN(CC(C)(F)F)CC1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OC1CC2CC(C2)C1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OC1C[C@H]2CC[C@@H](C1)C2.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OC1C[C@H]2CC[C@@H](C1)C2.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCCC[C@@H]1N.Cc1cc(Cl)cc(-c2ccnc3cc(Cn4c(=O)ccn(C)c4=O)sc23)c1OC1CCCCC1.
What is the InChIKey of [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium?
The InChIKey is WTCUXEMDNWLALZ-VFBZRDMHSA-N. The full InChI is InChI=1S/C27H28ClF2N3O3S.C26H26ClN3O3S.2C23H24ClNO2S.C22H22ClNO2S.C21H23ClN2O2S.C20H20ClN4O2S/c1-16-11-17(28)12-21(25(16)36-18-6-9-32(10-7-18)15-27(2,29)30)20-5-8-31-22-13-19(37-26(20)22)14-33-23(34)3-4-24(33)35;1-16-12-17(27)13-21(24(16)33-18-6-4-3-5-7-18)20-8-10-28-22-14-19(34-25(20)22)15-30-23(31)9-11-29(2)26(30)32;2*1-13-6-16(24)10-20(19-4-5-25-21-11-18(12-26)28-23(19)21)22(13)27-17-8-14-2-3-15(7-14)9-17;1-12-4-15(23)9-19(21(12)26-16-7-13-5-14(6-13)8-16)18-2-3-24-20-10-17(11-25)27-22(18)20;1-12-8-13(22)9-16(20(12)26-19-5-3-2-4-17(19)23)15-6-7-24-18-10-14(11-25)27-21(15)18;1-11-5-12(21)6-15(19(11)27-18-9-23-8-17(18)25-22-2)14-3-4-24-16-7-13(10-26)28-20(14)16/h5,8,11-13,18H,3-4,6-7,9-10,14-15H2,1-2H3;8-14,18H,3-7,15H2,1-2H3;2*4-6,10-11,14-15,17,26H,2-3,7-9,12H2,1H3;2-4,9-10,13-14,16,25H,5-8,11H2,1H3;6-10,17,19,25H,2-5,11,23H2,1H3;3-7,17-18,23,26H,2,8-10H2,1H3/q;;;;;;+1/t;;2*14-,15+,17?;;17-,19+;17-,18+/m.....00/s1.
What are the key properties of [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium?
[7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium has a molecular weight of 3090.84 g/mol, XLogP of 38.92, 33 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-[(1R,2S)-2-aminocyclohexyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(3-bicyclo[3.1.1]heptanyloxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;bis([7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol);3-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;1-[[7-[5-chloro-2-[1-(2,2-difluoropropyl)piperidin-4-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[(3S,4R)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium is sourced from PubChem (CID 158102810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).