6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

C103H97N7O16 — CID 158337855

IUPAC6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOC(=O)c1ccnc2c1CC(C(C)(O)c1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(Cc1ccc(C)cc1)=C2.Cc1ccc(C(C)(O)C2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.O=C(O)c1ccnc2c1CC(C(=O)N1CCCC1)=C2
InChIInChI=1S/C19H19NO3.C18H17NO3.C18H17NO2.C17H15NO3.C17H15NO2.C14H14N2O3/c1-12-4-6-13(7-5-12)19(2,22)14-10-16-15(18(21)23-3)8-9-20-17(16)11-14;1-11-3-5-12(6-4-11)18(2,22)13-9-15-14(17(20)21)7-8-19-16(15)10-13;1-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21-2)7-8-19-17(16)11-14;1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12;1-11-2-4-12(5-3-11)8-13-9-15-14(17(19)20)6-7-18-16(15)10-13;17-13(16-5-1-2-6-16)9-7-11-10(14(18)19)3-4-15-12(11)8-9/h4-9,11,22H,10H2,1-3H3;3-8,10,22H,9H2,1-2H3,(H,20,21);3-8,11H,9-10H2,1-2H3;2-7,9H,8,10H2,1H3,(H,19,20);2-7,10H,8-9H2,1H3,(H,19,20);3-4,8H,1-2,5-7H2,(H,18,19)
InChIKeyGQUMKCFJMZMFTP-UHFFFAOYSA-N
MW1688.94 g/mol
LogP17.04
Rot. Bonds18

About 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 158337855) has the molecular formula C103H97N7O16 and a molecular weight of 1688.94 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID158337855
Molecular FormulaC103H97N7O16
Molecular Weight1688.94 g/mol
Exact Mass1687.70
IUPAC Name6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOC(=O)c1ccnc2c1CC(C(C)(O)c1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(Cc1ccc(C)cc1)=C2.Cc1ccc(C(C)(O)C2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.O=C(O)c1ccnc2c1CC(C(=O)N1CCCC1)=C2
InChIInChI=1S/C19H19NO3.C18H17NO3.C18H17NO2.C17H15NO3.C17H15NO2.C14H14N2O3/c1-12-4-6-13(7-5-12)19(2,22)14-10-16-15(18(21)23-3)8-9-20-17(16)11-14;1-11-3-5-12(6-4-11)18(2,22)13-9-15-14(17(20)21)7-8-19-16(15)10-13;1-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21-2)7-8-19-17(16)11-14;1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12;1-11-2-4-12(5-3-11)8-13-9-15-14(17(19)20)6-7-18-16(15)10-13;17-13(16-5-1-2-6-16)9-7-11-10(14(18)19)3-4-15-12(11)8-9/h4-9,11,22H,10H2,1-3H3;3-8,10,22H,9H2,1-2H3,(H,20,21);3-8,11H,9-10H2,1-2H3;2-7,9H,8,10H2,1H3,(H,19,20);2-7,10H,8-9H2,1H3,(H,19,20);3-4,8H,1-2,5-7H2,(H,18,19)
InChIKeyGQUMKCFJMZMFTP-UHFFFAOYSA-N
XLogP17.04
TPSA349.14 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.94
LogP ≤ 517.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

Cis-bis(thiocyanato)(2,2'-bipyridyl-4,4'-dicarboxylic acid)(4,4'-bis(phexyloxystyryl)-2,2'-bipyridine)ruthenium(II)
CID 155905579
(E)-5-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-pyridin-4-yl-1-benzofuran-2-yl]-1-pyridin-3-ylpent-1-en-3-one;(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-pyridin-4-yl-1-benzofuran-5-yl)phenyl]methanone;(E)-3-pyridin-3-ylprop-2-enoic acid
CID 157346816
4-[8-[(4,4-Dimethyl-2,3-dihydrochromen-6-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid;6-[8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;6-[8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]pyridine-3-carboxylic acid;4-[8-[[5-(trifluoromethoxy)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]benzoic acid
CID 159062073
2-benzyl-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159834075
((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(3-pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g)cyclononane) diethylether N-methylpyrrolidone clathrate
CID 139157334
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(7-ethoxy-9,9-diethylfluoren-2-yl)-2-[4-(7-ethoxy-9,9-diethylfluoren-2-yl)-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 57683598
4-[(E)-2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]ethenyl]-2-[4-[(E)-2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]ethenyl]-2-pyridinyl]pyridine;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 58174943
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium
CID 58769283
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[(E)-2-[4-[(E)-2-[4-methyl-2,5-bis(3-methylbutoxy)phenyl]ethenyl]-2,5-bis(3-methylbutoxy)phenyl]ethenyl]-2-[4-[(E)-2-[4-[(E)-2-[4-methyl-2,5-bis(3-methylbutoxy)phenyl]ethenyl]-2,5-bis(3-methylbutoxy)phenyl]ethenyl]-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 59245477
2-[6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 59288301
2-(4-carboxy-2-pyridinyl)-6-[6-(4-carboxy-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 59288314
ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate
CID 59288320

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 158337855) is 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is COC(=O)c1ccnc2c1CC(C(C)(O)c1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(Cc1ccc(C)cc1)=C2.Cc1ccc(C(C)(O)C2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.O=C(O)c1ccnc2c1CC(C(=O)N1CCCC1)=C2.
What is the InChIKey of 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is GQUMKCFJMZMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3.C18H17NO3.C18H17NO2.C17H15NO3.C17H15NO2.C14H14N2O3/c1-12-4-6-13(7-5-12)19(2,22)14-10-16-15(18(21)23-3)8-9-20-17(16)11-14;1-11-3-5-12(6-4-11)18(2,22)13-9-15-14(17(20)21)7-8-19-16(15)10-13;1-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21-2)7-8-19-17(16)11-14;1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12;1-11-2-4-12(5-3-11)8-13-9-15-14(17(19)20)6-7-18-16(15)10-13;17-13(16-5-1-2-6-16)9-7-11-10(14(18)19)3-4-15-12(11)8-9/h4-9,11,22H,10H2,1-3H3;3-8,10,22H,9H2,1-2H3,(H,20,21);3-8,11H,9-10H2,1-2H3;2-7,9H,8,10H2,1H3,(H,19,20);2-7,10H,8-9H2,1H3,(H,19,20);3-4,8H,1-2,5-7H2,(H,18,19).
What are the key properties of 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 1688.94 g/mol, XLogP of 17.04, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(pyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 158337855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).