[7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol

C148H159Cl7N12O17S7 — CID 157492060

IUPAC[7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol
SMILESCCO[C@H]1CNC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CO)sc12.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC12CCCC1C2.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1CCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@@H]1N.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@H]1N.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CN[C@@H](C(C)(C)O)C1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CN[C@H](C(C)(C)O)C1
InChIInChI=1S/2C22H25ClN2O3S.C22H22ClNO2S.C21H23ClN2O3S.C21H22ClNO2S.2C20H21ClN2O2S/c2*1-12-6-13(23)7-17(16-4-5-24-18-9-15(11-26)29-21(16)18)20(12)28-14-8-19(25-10-14)22(2,3)27;1-13-7-15(23)8-18(20(13)26-12-22-5-2-3-14(22)10-22)17-4-6-24-19-9-16(11-25)27-21(17)19;1-3-26-18-9-23-10-19(18)27-20-12(2)6-13(22)7-16(20)15-4-5-24-17-8-14(11-25)28-21(15)17;1-13-8-15(22)9-18(20(13)25-12-14-4-2-3-5-14)17-6-7-23-19-10-16(11-24)26-21(17)19;2*1-11-7-12(21)8-15(19(11)25-18-4-2-3-16(18)22)14-5-6-23-17-9-13(10-24)26-20(14)17/h2*4-7,9,14,19,25-27H,8,10-11H2,1-3H3;4,6-9,14,25H,2-3,5,10-12H2,1H3;4-8,18-19,23,25H,3,9-11H2,1-2H3;6-10,14,24H,2-5,11-12H2,1H3;2*5-9,16,18,24H,2-4,10,22H2,1H3/t14-,19+;14-,19-;;18-,19+;;16-,18+;16-,18-/m00.0.01/s1
InChIKeyBXJWTYIFXUFCKQ-PNVYLEQESA-N
MW2850.61 g/mol
LogP34.09
Rot. Bonds34

About [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol

[7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol (PubChem CID 157492060) has the molecular formula C148H159Cl7N12O17S7 and a molecular weight of 2850.61 g/mol. Its IUPAC name is [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name[7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol
PubChem CID157492060
Molecular FormulaC148H159Cl7N12O17S7
Molecular Weight2850.61 g/mol
Exact Mass2844.78
IUPAC Name[7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol
SMILESCCO[C@H]1CNC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CO)sc12.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC12CCCC1C2.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1CCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@@H]1N.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@H]1N.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CN[C@@H](C(C)(C)O)C1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CN[C@H](C(C)(C)O)C1
InChIInChI=1S/2C22H25ClN2O3S.C22H22ClNO2S.C21H23ClN2O3S.C21H22ClNO2S.2C20H21ClN2O2S/c2*1-12-6-13(23)7-17(16-4-5-24-18-9-15(11-26)29-21(16)18)20(12)28-14-8-19(25-10-14)22(2,3)27;1-13-7-15(23)8-18(20(13)26-12-22-5-2-3-14(22)10-22)17-4-6-24-19-9-16(11-25)27-21(17)19;1-3-26-18-9-23-10-19(18)27-20-12(2)6-13(22)7-16(20)15-4-5-24-17-8-14(11-25)28-21(15)17;1-13-8-15(22)9-18(20(13)25-12-14-4-2-3-5-14)17-6-7-23-19-10-16(11-24)26-21(17)19;2*1-11-7-12(21)8-15(19(11)25-18-4-2-3-16(18)22)14-5-6-23-17-9-13(10-24)26-20(14)17/h2*4-7,9,14,19,25-27H,8,10-11H2,1-3H3;4,6-9,14,25H,2-3,5,10-12H2,1H3;4-8,18-19,23,25H,3,9-11H2,1-2H3;6-10,14,24H,2-5,11-12H2,1H3;2*5-9,16,18,24H,2-4,10,22H2,1H3/t14-,19+;14-,19-;;18-,19+;;16-,18+;16-,18-/m00.0.01/s1
InChIKeyBXJWTYIFXUFCKQ-PNVYLEQESA-N
XLogP34.09
TPSA434.27 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002850.61
LogP ≤ 534.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[4-chloro-2-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]-N,N-dimethylpyrrolidine-2-carboxamide;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]-3-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[7-[5-chloro-2-[(1S,2R)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3R,4R)-4-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3S,5R)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3S,4S)-4-propan-2-ylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[[7-[2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methyl-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 160048529
1-[[7-[5-chloro-2-[(1R,3R)-3-ethylcyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[[7-[3-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-5-(trifluoromethyl)phenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;[7-[5-chloro-3-methyl-2-[(1R,2S)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(1R,2R)-2-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3S,5S)-5-methylpyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]thieno[3,2-b]pyridin-2-yl]methanol
CID 160511640
[7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol
CID 157161570
[7-[5-Chloro-2-(1-cyclobutylethoxy)phenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]methyl]cyclobutane-1-carbonitrile;1-[[4-chloro-2-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]methyl]cyclobutane-1-carbonitrile;7-[5-chloro-3-methyl-2-[(1-methylcyclobutyl)methoxy]phenyl]thieno[3,2-b]pyridine;[7-[5-chloro-3-methyl-2-(5-oxaspiro[3.4]octan-7-yloxy)phenyl]thieno[3,2-b]pyridin-2-yl]methanol;3-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-5-methyl-4-[(1-methylcyclobutyl)methoxy]benzonitrile;3-methyl-4-[(1-methylcyclobutyl)methoxy]-5-thieno[3,2-b]pyridin-7-ylbenzonitrile
CID 158597909
1-[7-[2-(6-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[(3S,4R)-4-[4-chloro-2-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-3-yl]imino-methylideneazanium;1-[7-[5-chloro-2-[(3S,5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-[4-chloro-2-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-one;[7-[5-chloro-3-methyl-2-[(1R,3S)-3-methylcyclopentyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-3-methyl-2-[(3R,4S)-4-(prop-1-en-2-ylamino)pyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[[7-[5-chloro-3-methyl-2-[(3R,4S)-4-(prop-1-en-2-ylamino)pyrrolidin-3-yl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 160315923
1-[[7-[2-[[(1R,5S)-6-bicyclo[3.1.1]heptanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(1-cyclobutylpiperidin-4-yl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[7-[5-chloro-2-(cyclohexylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2,2-dimethylpiperidin-4-yl)oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1R,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-[(1S,2S)-2-fluorocyclohexyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 160577965

Frequently Asked Questions

What is the IUPAC name of [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol (CID 157492060) is [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol is CCO[C@H]1CNC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CO)sc12.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC12CCCC1C2.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1OCC1CCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@@H]1N.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@H]1N.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CN[C@@H](C(C)(C)O)C1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CN[C@H](C(C)(C)O)C1.
What is the InChIKey of [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is BXJWTYIFXUFCKQ-PNVYLEQESA-N. The full InChI is InChI=1S/2C22H25ClN2O3S.C22H22ClNO2S.C21H23ClN2O3S.C21H22ClNO2S.2C20H21ClN2O2S/c2*1-12-6-13(23)7-17(16-4-5-24-18-9-15(11-26)29-21(16)18)20(12)28-14-8-19(25-10-14)22(2,3)27;1-13-7-15(23)8-18(20(13)26-12-22-5-2-3-14(22)10-22)17-4-6-24-19-9-16(11-25)27-21(17)19;1-3-26-18-9-23-10-19(18)27-20-12(2)6-13(22)7-16(20)15-4-5-24-17-8-14(11-25)28-21(15)17;1-13-8-15(22)9-18(20(13)25-12-14-4-2-3-5-14)17-6-7-23-19-10-16(11-24)26-21(17)19;2*1-11-7-12(21)8-15(19(11)25-18-4-2-3-16(18)22)14-5-6-23-17-9-13(10-24)26-20(14)17/h2*4-7,9,14,19,25-27H,8,10-11H2,1-3H3;4,6-9,14,25H,2-3,5,10-12H2,1H3;4-8,18-19,23,25H,3,9-11H2,1-2H3;6-10,14,24H,2-5,11-12H2,1H3;2*5-9,16,18,24H,2-4,10,22H2,1H3/t14-,19+;14-,19-;;18-,19+;;16-,18+;16-,18-/m00.0.01/s1.
What are the key properties of [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol?
[7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 2850.61 g/mol, XLogP of 34.09, 34 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-[(1R,2S)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-[(1R,2R)-2-aminocyclopentyl]oxy-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[2-(1-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-(cyclopentylmethoxy)-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3R,4S)-4-ethoxypyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;2-[(2R,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol;2-[(2S,4S)-4-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 157492060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).