6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid

C107H113N9O15 — CID 158129256

IUPAC6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCCC1=Cc2nccc(C(=O)O)c2C1.CCCC1=Cc2nccc(C(=O)OC)c2C1.COC(=O)c1ccnc2c1CC(CC1CCCCC1)=C2.COC(=O)c1ccnc2c1CC(Cc1ccc(C)cc1)=C2.Cc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.Cn1ccc(C(O)C2=Cc3nccc(C(=O)O)c3C2)n1.O=C(O)c1ccnc2c1CC(CC1CCCCC1)=C2
InChIInChI=1S/C18H17NO2.C17H15NO2.C17H21NO2.C16H19NO2.C14H13N3O3.C13H15NO2.C12H13NO2/c1-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21-2)7-8-19-17(16)11-14;1-11-2-4-12(5-3-11)8-13-9-15-14(17(19)20)6-7-18-16(15)10-13;1-20-17(19)14-7-8-18-16-11-13(10-15(14)16)9-12-5-3-2-4-6-12;18-16(19)13-6-7-17-15-10-12(9-14(13)15)8-11-4-2-1-3-5-11;1-17-5-3-11(16-17)13(18)8-6-10-9(14(19)20)2-4-15-12(10)7-8;1-3-4-9-7-11-10(13(15)16-2)5-6-14-12(11)8-9;1-2-3-8-6-10-9(12(14)15)4-5-13-11(10)7-8/h3-8,11H,9-10H2,1-2H3;2-7,10H,8-9H2,1H3,(H,19,20);7-8,11-12H,2-6,9-10H2,1H3;6-7,10-11H,1-5,8-9H2,(H,18,19);2-5,7,13,18H,6H2,1H3,(H,19,20);5-6,8H,3-4,7H2,1-2H3;4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyFSOLCBVJNHSYJI-UHFFFAOYSA-N
MW1765.13 g/mol
LogP20.41
Rot. Bonds21

About 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 158129256) has the molecular formula C107H113N9O15 and a molecular weight of 1765.13 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID158129256
Molecular FormulaC107H113N9O15
Molecular Weight1765.13 g/mol
Exact Mass1763.84
IUPAC Name6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCCC1=Cc2nccc(C(=O)O)c2C1.CCCC1=Cc2nccc(C(=O)OC)c2C1.COC(=O)c1ccnc2c1CC(CC1CCCCC1)=C2.COC(=O)c1ccnc2c1CC(Cc1ccc(C)cc1)=C2.Cc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.Cn1ccc(C(O)C2=Cc3nccc(C(=O)O)c3C2)n1.O=C(O)c1ccnc2c1CC(CC1CCCCC1)=C2
InChIInChI=1S/C18H17NO2.C17H15NO2.C17H21NO2.C16H19NO2.C14H13N3O3.C13H15NO2.C12H13NO2/c1-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21-2)7-8-19-17(16)11-14;1-11-2-4-12(5-3-11)8-13-9-15-14(17(19)20)6-7-18-16(15)10-13;1-20-17(19)14-7-8-18-16-11-13(10-15(14)16)9-12-5-3-2-4-6-12;18-16(19)13-6-7-17-15-10-12(9-14(13)15)8-11-4-2-1-3-5-11;1-17-5-3-11(16-17)13(18)8-6-10-9(14(19)20)2-4-15-12(10)7-8;1-3-4-9-7-11-10(13(15)16-2)5-6-14-12(11)8-9;1-2-3-8-6-10-9(12(14)15)4-5-13-11(10)7-8/h3-8,11H,9-10H2,1-2H3;2-7,10H,8-9H2,1H3,(H,19,20);7-8,11-12H,2-6,9-10H2,1H3;6-7,10-11H,1-5,8-9H2,(H,18,19);2-5,7,13,18H,6H2,1H3,(H,19,20);5-6,8H,3-4,7H2,1-2H3;4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyFSOLCBVJNHSYJI-UHFFFAOYSA-N
XLogP20.41
TPSA356.38 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms131
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.13
LogP ≤ 520.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 158129256) is 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid is CCCC1=Cc2nccc(C(=O)O)c2C1.CCCC1=Cc2nccc(C(=O)OC)c2C1.COC(=O)c1ccnc2c1CC(CC1CCCCC1)=C2.COC(=O)c1ccnc2c1CC(Cc1ccc(C)cc1)=C2.Cc1ccc(CC2=Cc3nccc(C(=O)O)c3C2)cc1.Cn1ccc(C(O)C2=Cc3nccc(C(=O)O)c3C2)n1.O=C(O)c1ccnc2c1CC(CC1CCCCC1)=C2.
What is the InChIKey of 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is FSOLCBVJNHSYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C17H15NO2.C17H21NO2.C16H19NO2.C14H13N3O3.C13H15NO2.C12H13NO2/c1-12-3-5-13(6-4-12)9-14-10-16-15(18(20)21-2)7-8-19-17(16)11-14;1-11-2-4-12(5-3-11)8-13-9-15-14(17(19)20)6-7-18-16(15)10-13;1-20-17(19)14-7-8-18-16-11-13(10-15(14)16)9-12-5-3-2-4-6-12;18-16(19)13-6-7-17-15-10-12(9-14(13)15)8-11-4-2-1-3-5-11;1-17-5-3-11(16-17)13(18)8-6-10-9(14(19)20)2-4-15-12(10)7-8;1-3-4-9-7-11-10(13(15)16-2)5-6-14-12(11)8-9;1-2-3-8-6-10-9(12(14)15)4-5-13-11(10)7-8/h3-8,11H,9-10H2,1-2H3;2-7,10H,8-9H2,1H3,(H,19,20);7-8,11-12H,2-6,9-10H2,1H3;6-7,10-11H,1-5,8-9H2,(H,18,19);2-5,7,13,18H,6H2,1H3,(H,19,20);5-6,8H,3-4,7H2,1-2H3;4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 1765.13 g/mol, XLogP of 20.41, 21 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[hydroxy-(1-methylpyrazol-3-yl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-(cyclohexylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylate;methyl 6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;6-[(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-propyl-5H-cyclopenta[b]pyridine-4-carboxylate;6-propyl-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 158129256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).