6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate

C124H124ClN7O12 — CID 160761254

About 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate

6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate (PubChem CID 160761254) has the molecular formula C124H124ClN7O12 and a molecular weight of 1939.85 g/mol. Its IUPAC name is 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
• PubChem CID: 160761254
• Molecular Formula: C124H124ClN7O12
• Molecular Weight: 1939.85 g/mol
• Exact Mass: 1937.90
• IUPAC Name: 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
• SMILES: CCc1cc(CC2=Cc3nccc(C(=O)O)c3C2)ccc1Cl.COC(=O)c1ccnc2c1CC(CC1CCCc3ccccc31)=C2.COC(=O)c1ccnc2c1CC(CC1CCc3ccccc31)=C2.Cc1ccc(CC2=Cc3nccc(C(=O)OCC4CCC4)c3C2)cc1.Cc1ccc(CC2=Cc3nccc(C(=O)OCC4CCN(C)CC4)c3C2)cc1.O=C(O)c1ccnc2c1CC(CC1CCc3ccccc31)=C2
• InChI: InChI=1S/C24H28N2O2.C22H23NO2.C21H21NO2.C20H19NO2.C19H17NO2.C18H16ClNO2/c1-17-3-5-18(6-4-17)13-20-14-22-21(7-10-25-23(22)15-20)24(27)28-16-19-8-11-26(2)12-9-19;1-15-5-7-16(8-6-15)11-18-12-20-19(9-10-23-21(20)13-18)22(24)25-14-17-3-2-4-17;1-24-21(23)18-9-10-22-20-13-14(12-19(18)20)11-16-7-4-6-15-5-2-3-8-17(15)16;1-23-20(22)17-8-9-21-19-12-13(11-18(17)19)10-15-7-6-14-4-2-3-5-16(14)15;21-19(22)16-7-8-20-18-11-12(10-17(16)18)9-14-6-5-13-3-1-2-4-15(13)14;1-2-13-8-11(3-4-16(13)19)7-12-9-15-14(18(21)22)5-6-20-17(15)10-12/h3-7,10,15,19H,8-9,11-14,16H2,1-2H3;5-10,13,17H,2-4,11-12,14H2,1H3;2-3,5,8-10,13,16H,4,6-7,11-12H2,1H3;2-5,8-9,12,15H,6-7,10-11H2,1H3;1-4,7-8,11,14H,5-6,9-10H2,(H,21,22);3-6,8,10H,2,7,9H2,1H3,(H,21,22)
• InChIKey: RYCFLYOWBQOUSG-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 260.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.85
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?

The IUPAC name of 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate (CID 160761254) is 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate.

What is the SMILES notation for 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?

The canonical SMILES for 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate is CCc1cc(CC2=Cc3nccc(C(=O)O)c3C2)ccc1Cl.COC(=O)c1ccnc2c1CC(CC1CCCc3ccccc31)=C2.COC(=O)c1ccnc2c1CC(CC1CCc3ccccc31)=C2.Cc1ccc(CC2=Cc3nccc(C(=O)OCC4CCC4)c3C2)cc1.Cc1ccc(CC2=Cc3nccc(C(=O)OCC4CCN(C)CC4)c3C2)cc1.O=C(O)c1ccnc2c1CC(CC1CCc3ccccc31)=C2.

What is the InChIKey of 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?

The InChIKey is RYCFLYOWBQOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.C22H23NO2.C21H21NO2.C20H19NO2.C19H17NO2.C18H16ClNO2/c1-17-3-5-18(6-4-17)13-20-14-22-21(7-10-25-23(22)15-20)24(27)28-16-19-8-11-26(2)12-9-19;1-15-5-7-16(8-6-15)11-18-12-20-19(9-10-23-21(20)13-18)22(24)25-14-17-3-2-4-17;1-24-21(23)18-9-10-22-20-13-14(12-19(18)20)11-16-7-4-6-15-5-2-3-8-17(15)16;1-23-20(22)17-8-9-21-19-12-13(11-18(17)19)10-15-7-6-14-4-2-3-5-16(14)15;21-19(22)16-7-8-20-18-11-12(10-17(16)18)9-14-6-5-13-3-1-2-4-15(13)14;1-2-13-8-11(3-4-16(13)19)7-12-9-15-14(18(21)22)5-6-20-17(15)10-12/h3-7,10,15,19H,8-9,11-14,16H2,1-2H3;5-10,13,17H,2-4,11-12,14H2,1H3;2-3,5,8-10,13,16H,4,6-7,11-12H2,1H3;2-5,8-9,12,15H,6-7,10-11H2,1H3;1-4,7-8,11,14H,5-6,9-10H2,(H,21,22);3-6,8,10H,2,7,9H2,1H3,(H,21,22).

What are the key properties of 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate?

6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate has a molecular weight of 1939.85 g/mol, XLogP of 24.86, 23 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chloro-3-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;cyclobutylmethyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(2,3-dihydro-1H-inden-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;(1-methylpiperidin-4-yl)methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate is sourced from PubChem (CID 160761254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).