6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

C140H128N8O23 — CID 158052958

IUPAC6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
SMILESCCc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.COC(=O)c1ccnc2c1CC(COc1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(COc1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(COc1ccccc1C)=C2.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccccc1OCC1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/3C18H17NO3.C18H17NO2.4C17H15NO3/c2*1-12-3-5-14(6-4-12)22-11-13-9-16-15(18(20)21-2)7-8-19-17(16)10-13;1-12-5-3-4-6-17(12)22-11-13-9-15-14(18(20)21-2)7-8-19-16(15)10-13;1-2-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21)7-8-19-17(16)11-14;3*1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12;1-11-4-2-3-5-16(11)21-10-12-8-14-13(17(19)20)6-7-18-15(14)9-12/h3*3-8,10H,9,11H2,1-2H3;3-8,11H,2,9-10H2,1H3,(H,20,21);4*2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyFJRYMURXBWKRPX-UHFFFAOYSA-N
MW2290.60 g/mol
LogP25.54
Rot. Bonds32

About 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (PubChem CID 158052958) has the molecular formula C140H128N8O23 and a molecular weight of 2290.60 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).

Molecular Properties

Compound Name6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
PubChem CID158052958
Molecular FormulaC140H128N8O23
Molecular Weight2290.60 g/mol
Exact Mass2288.91
IUPAC Name6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
SMILESCCc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.COC(=O)c1ccnc2c1CC(COc1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(COc1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(COc1ccccc1C)=C2.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccccc1OCC1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/3C18H17NO3.C18H17NO2.4C17H15NO3/c2*1-12-3-5-14(6-4-12)22-11-13-9-16-15(18(20)21-2)7-8-19-17(16)10-13;1-12-5-3-4-6-17(12)22-11-13-9-15-14(18(20)21-2)7-8-19-16(15)10-13;1-2-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21)7-8-19-17(16)11-14;3*1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12;1-11-4-2-3-5-16(11)21-10-12-8-14-13(17(19)20)6-7-18-15(14)9-12/h3*3-8,10H,9,11H2,1-2H3;3-8,11H,2,9-10H2,1H3,(H,20,21);4*2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyFJRYMURXBWKRPX-UHFFFAOYSA-N
XLogP25.54
TPSA433.13 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.60
LogP ≤ 525.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) with MolForge

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Related Compounds

6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147530025
6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146858339
6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512753
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
CID 152841006
methyl 6-[1-hydroxy-1-(4-methylphenyl)ethyl]-5H-cyclopenta[b]pyridine-4-carboxylate
CID 158337857
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
1-O-methyl 2-O-[4-[(4-methylphenyl)methyl]phenyl] benzene-1,2-dicarboxylate
CID 22898103
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The IUPAC name of 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (CID 158052958) is 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).
What is the SMILES notation for 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The canonical SMILES for 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is CCc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.COC(=O)c1ccnc2c1CC(COc1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(COc1ccc(C)cc1)=C2.COC(=O)c1ccnc2c1CC(COc1ccccc1C)=C2.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.Cc1ccccc1OCC1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
The InChIKey is FJRYMURXBWKRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H17NO3.C18H17NO2.4C17H15NO3/c2*1-12-3-5-14(6-4-12)22-11-13-9-16-15(18(20)21-2)7-8-19-17(16)10-13;1-12-5-3-4-6-17(12)22-11-13-9-15-14(18(20)21-2)7-8-19-16(15)10-13;1-2-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21)7-8-19-17(16)11-14;3*1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12;1-11-4-2-3-5-16(11)21-10-12-8-14-13(17(19)20)6-7-18-15(14)9-12/h3*3-8,10H,9,11H2,1-2H3;3-8,11H,2,9-10H2,1H3,(H,20,21);4*2-7,9H,8,10H2,1H3,(H,19,20).
What are the key properties of 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?
6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) has a molecular weight of 2290.60 g/mol, XLogP of 25.54, 32 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is sourced from PubChem (CID 158052958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).