6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C120H137F4N11O16 — CID 157235579

IUPAC6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCN(C)C(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CN(C)CCCOC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CN(C)CCOC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CNC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.Cc1ccc(C(F)(F)C2=Cc3nccc(C(=O)O)c3C2)cc1.O=C(O)c1ccnc2c1CC(C(F)(F)c1ccccc1)=C2.O=C(O)c1ccnc2c1CC(CC1CCCC1)=C2
InChIInChI=1S/C20H28N2O3.C19H26N2O3.C17H13F2NO2.C17H22N2O2.C16H11F2NO2.C16H20N2O2.C15H17NO2/c1-22(2)10-5-11-25-19(14-6-3-4-7-14)15-12-17-16(20(23)24)8-9-21-18(17)13-15;1-21(2)9-10-24-18(13-5-3-4-6-13)14-11-16-15(19(22)23)7-8-20-17(16)12-14;1-10-2-4-11(5-3-10)17(18,19)12-8-14-13(16(21)22)6-7-20-15(14)9-12;1-19(2)16(11-5-3-4-6-11)12-9-14-13(17(20)21)7-8-18-15(14)10-12;17-16(18,10-4-2-1-3-5-10)11-8-13-12(15(20)21)6-7-19-14(13)9-11;1-17-15(10-4-2-3-5-10)11-8-13-12(16(19)20)6-7-18-14(13)9-11;17-15(18)12-5-6-16-14-9-11(8-13(12)14)7-10-3-1-2-4-10/h8-9,13-14,19H,3-7,10-12H2,1-2H3,(H,23,24);7-8,12-13,18H,3-6,9-11H2,1-2H3,(H,22,23);2-7,9H,8H2,1H3,(H,21,22);7-8,10-11,16H,3-6,9H2,1-2H3,(H,20,21);1-7,9H,8H2,(H,20,21);6-7,9-10,15,17H,2-5,8H2,1H3,(H,19,20);5-6,9-10H,1-4,7-8H2,(H,17,18)
InChIKeyAUPCLQRFTGSRSM-UHFFFAOYSA-N
MW2065.47 g/mol
LogP22.07
Rot. Bonds32

About 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 157235579) has the molecular formula C120H137F4N11O16 and a molecular weight of 2065.47 g/mol. Its IUPAC name is 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID157235579
Molecular FormulaC120H137F4N11O16
Molecular Weight2065.47 g/mol
Exact Mass2064.02
IUPAC Name6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCN(C)C(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CN(C)CCCOC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CN(C)CCOC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CNC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.Cc1ccc(C(F)(F)C2=Cc3nccc(C(=O)O)c3C2)cc1.O=C(O)c1ccnc2c1CC(C(F)(F)c1ccccc1)=C2.O=C(O)c1ccnc2c1CC(CC1CCCC1)=C2
InChIInChI=1S/C20H28N2O3.C19H26N2O3.C17H13F2NO2.C17H22N2O2.C16H11F2NO2.C16H20N2O2.C15H17NO2/c1-22(2)10-5-11-25-19(14-6-3-4-7-14)15-12-17-16(20(23)24)8-9-21-18(17)13-15;1-21(2)9-10-24-18(13-5-3-4-6-13)14-11-16-15(19(22)23)7-8-20-17(16)12-14;1-10-2-4-11(5-3-10)17(18,19)12-8-14-13(16(21)22)6-7-20-15(14)9-12;1-19(2)16(11-5-3-4-6-11)12-9-14-13(17(20)21)7-8-18-15(14)10-12;17-16(18,10-4-2-1-3-5-10)11-8-13-12(15(20)21)6-7-19-14(13)9-11;1-17-15(10-4-2-3-5-10)11-8-13-12(16(19)20)6-7-18-14(13)9-11;17-15(18)12-5-6-16-14-9-11(8-13(12)14)7-10-3-1-2-4-10/h8-9,13-14,19H,3-7,10-12H2,1-2H3,(H,23,24);7-8,12-13,18H,3-6,9-11H2,1-2H3,(H,22,23);2-7,9H,8H2,1H3,(H,21,22);7-8,10-11,16H,3-6,9H2,1-2H3,(H,20,21);1-7,9H,8H2,(H,20,21);6-7,9-10,15,17H,2-5,8H2,1H3,(H,19,20);5-6,9-10H,1-4,7-8H2,(H,17,18)
InChIKeyAUPCLQRFTGSRSM-UHFFFAOYSA-N
XLogP22.07
TPSA391.54 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002065.47
LogP ≤ 522.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,5R)-2-[[4-[(2-fluoro-3-pyridinyl)methyl-(2-hydroxyethyl)carbamoyl]phenyl]methyl]-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidine-1-carboxylate;2-[(2-fluoro-3-pyridinyl)methylamino]ethanol;bis(N-[(2-fluoro-3-pyridinyl)methyl]-N-(2-hydroxyethyl)-4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen
CID 157220086

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 157235579) is 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is CN(C)C(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CN(C)CCCOC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CN(C)CCOC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.CNC(C1=Cc2nccc(C(=O)O)c2C1)C1CCCC1.Cc1ccc(C(F)(F)C2=Cc3nccc(C(=O)O)c3C2)cc1.O=C(O)c1ccnc2c1CC(C(F)(F)c1ccccc1)=C2.O=C(O)c1ccnc2c1CC(CC1CCCC1)=C2.
What is the InChIKey of 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is AUPCLQRFTGSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3.C19H26N2O3.C17H13F2NO2.C17H22N2O2.C16H11F2NO2.C16H20N2O2.C15H17NO2/c1-22(2)10-5-11-25-19(14-6-3-4-7-14)15-12-17-16(20(23)24)8-9-21-18(17)13-15;1-21(2)9-10-24-18(13-5-3-4-6-13)14-11-16-15(19(22)23)7-8-20-17(16)12-14;1-10-2-4-11(5-3-10)17(18,19)12-8-14-13(16(21)22)6-7-20-15(14)9-12;1-19(2)16(11-5-3-4-6-11)12-9-14-13(17(20)21)7-8-18-15(14)10-12;17-16(18,10-4-2-1-3-5-10)11-8-13-12(15(20)21)6-7-19-14(13)9-11;1-17-15(10-4-2-3-5-10)11-8-13-12(16(19)20)6-7-18-14(13)9-11;17-15(18)12-5-6-16-14-9-11(8-13(12)14)7-10-3-1-2-4-10/h8-9,13-14,19H,3-7,10-12H2,1-2H3,(H,23,24);7-8,12-13,18H,3-6,9-11H2,1-2H3,(H,22,23);2-7,9H,8H2,1H3,(H,21,22);7-8,10-11,16H,3-6,9H2,1-2H3,(H,20,21);1-7,9H,8H2,(H,20,21);6-7,9-10,15,17H,2-5,8H2,1H3,(H,19,20);5-6,9-10H,1-4,7-8H2,(H,17,18).
What are the key properties of 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 2065.47 g/mol, XLogP of 22.07, 32 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl-[2-(dimethylamino)ethoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(dimethylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl-[3-(dimethylamino)propoxy]methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[cyclopentyl(methylamino)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(cyclopentylmethyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro-(4-methylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[difluoro(phenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 157235579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).