3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone

C143H121Cl2N13O6S — CID 158752732

IUPAC3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone
SMILESCc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccoc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccsc4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4cccc(Cl)c4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccccc4)nc4c3C=CC4)c2)c1
InChIInChI=1S/2C29H24ClN3O.C29H25N3O.C28H24N2O2.C28H24N2OS/c1-18-6-3-9-23(14-18)31-29(34)21-13-12-19(2)26(16-21)33-28-17-27(20-7-4-8-22(30)15-20)32-25-11-5-10-24(25)28;1-18-5-3-6-23(15-18)31-29(34)21-10-9-19(2)26(16-21)33-28-17-27(20-11-13-22(30)14-12-20)32-25-8-4-7-24(25)28;1-19-8-6-11-23(16-19)30-29(33)22-15-14-20(2)26(17-22)32-28-18-27(21-9-4-3-5-10-21)31-25-13-7-12-24(25)28;2*1-18-5-3-6-21(13-18)28(31)15-20-10-9-19(2)25(14-20)30-27-16-26(22-11-12-32-17-22)29-24-8-4-7-23(24)27/h3-10,12-17H,11H2,1-2H3,(H,31,34)(H,32,33);3-7,9-17H,8H2,1-2H3,(H,31,34)(H,32,33);3-12,14-18H,13H2,1-2H3,(H,30,33)(H,31,32);2*3-7,9-14,16-17H,8,15H2,1-2H3,(H,29,30)
InChIKeyINRKXELSLLTRJG-UHFFFAOYSA-N
MW2220.60 g/mol
LogP35.96
Rot. Bonds27

About 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone

3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone (PubChem CID 158752732) has the molecular formula C143H121Cl2N13O6S and a molecular weight of 2220.60 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone
PubChem CID158752732
Molecular FormulaC143H121Cl2N13O6S
Molecular Weight2220.60 g/mol
Exact Mass2217.87
IUPAC Name3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone
SMILESCc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccoc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccsc4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4cccc(Cl)c4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccccc4)nc4c3C=CC4)c2)c1
InChIInChI=1S/2C29H24ClN3O.C29H25N3O.C28H24N2O2.C28H24N2OS/c1-18-6-3-9-23(14-18)31-29(34)21-13-12-19(2)26(16-21)33-28-17-27(20-7-4-8-22(30)15-20)32-25-11-5-10-24(25)28;1-18-5-3-6-23(15-18)31-29(34)21-10-9-19(2)26(16-21)33-28-17-27(20-11-13-22(30)14-12-20)32-25-8-4-7-24(25)28;1-19-8-6-11-23(16-19)30-29(33)22-15-14-20(2)26(17-22)32-28-18-27(21-9-4-3-5-10-21)31-25-13-7-12-24(25)28;2*1-18-5-3-6-21(13-18)28(31)15-20-10-9-19(2)25(14-20)30-27-16-26(22-11-12-32-17-22)29-24-8-4-7-23(24)27/h3-10,12-17H,11H2,1-2H3,(H,31,34)(H,32,33);3-7,9-17H,8H2,1-2H3,(H,31,34)(H,32,33);3-12,14-18H,13H2,1-2H3,(H,30,33)(H,31,32);2*3-7,9-14,16-17H,8,15H2,1-2H3,(H,29,30)
InChIKeyINRKXELSLLTRJG-UHFFFAOYSA-N
XLogP35.96
TPSA259.18 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.60
LogP ≤ 535.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone with MolForge

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Related Compounds

3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;4-methyl-N-(3-methylphenyl)-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide
CID 160891034

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone (CID 158752732) is 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone is Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccoc4)nc4c3C=CC4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccsc4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4cccc(Cl)c4)nc4c3C=CC4)c2)c1.Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccccc4)nc4c3C=CC4)c2)c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
The InChIKey is INRKXELSLLTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H24ClN3O.C29H25N3O.C28H24N2O2.C28H24N2OS/c1-18-6-3-9-23(14-18)31-29(34)21-13-12-19(2)26(16-21)33-28-17-27(20-7-4-8-22(30)15-20)32-25-11-5-10-24(25)28;1-18-5-3-6-23(15-18)31-29(34)21-10-9-19(2)26(16-21)33-28-17-27(20-11-13-22(30)14-12-20)32-25-8-4-7-24(25)28;1-19-8-6-11-23(16-19)30-29(33)22-15-14-20(2)26(17-22)32-28-18-27(21-9-4-3-5-10-21)31-25-13-7-12-24(25)28;2*1-18-5-3-6-21(13-18)28(31)15-20-10-9-19(2)25(14-20)30-27-16-26(22-11-12-32-17-22)29-24-8-4-7-23(24)27/h3-10,12-17H,11H2,1-2H3,(H,31,34)(H,32,33);3-7,9-17H,8H2,1-2H3,(H,31,34)(H,32,33);3-12,14-18H,13H2,1-2H3,(H,30,33)(H,31,32);2*3-7,9-14,16-17H,8,15H2,1-2H3,(H,29,30).
What are the key properties of 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone?
3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone has a molecular weight of 2220.60 g/mol, XLogP of 35.96, 27 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[[2-(furan-3-yl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-(3-methylphenyl)-3-[(2-phenyl-7H-cyclopenta[b]pyridin-4-yl)amino]benzamide;1-(3-methylphenyl)-2-[4-methyl-3-[(2-thiophen-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 158752732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).