2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone

C153H132N6O8S — CID 158096363

About 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone

2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone (PubChem CID 158096363) has the molecular formula C153H132N6O8S and a molecular weight of 2214.84 g/mol. Its IUPAC name is 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone
• PubChem CID: 158096363
• Molecular Formula: C153H132N6O8S
• Molecular Weight: 2214.84 g/mol
• Exact Mass: 2212.98
• IUPAC Name: 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone
• SMILES: Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cc5ccccc5o4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccc(N)c4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccc(O)c4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4ccco4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccs4)c4c(n3)CC=C4)c2)c1
• InChI: InChI=1S/C33H27NO2.C31H28N2O.C31H27NO2.C29H25NO2.C29H25NOS/c1-21-7-5-9-24(15-21)31(35)17-23-14-13-22(2)26(16-23)18-27-20-29(28-10-6-11-30(28)34-27)33-19-25-8-3-4-12-32(25)36-33;1-20-6-3-8-24(14-20)31(34)16-22-13-12-21(2)25(15-22)18-27-19-29(23-7-4-9-26(32)17-23)28-10-5-11-30(28)33-27;1-20-6-3-8-24(14-20)31(34)16-22-13-12-21(2)25(15-22)17-26-19-29(23-7-4-9-27(33)18-23)28-10-5-11-30(28)32-26;2*1-19-6-3-7-22(14-19)28(31)16-21-12-11-20(2)23(15-21)17-24-18-26(29-10-5-13-32-29)25-8-4-9-27(25)30-24/h3-10,12-16,19-20H,11,17-18H2,1-2H3;3-10,12-15,17,19H,11,16,18,32H2,1-2H3;3-10,12-15,18-19,33H,11,16-17H2,1-2H3;2*3-8,10-15,18H,9,16-17H2,1-2H3
• InChIKey: FOSHDBJHFOWNFJ-UHFFFAOYSA-N
• XLogP: 34.44
• TPSA: 222.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2214.84
LogP ≤ 5	34.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone?

The IUPAC name of 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone (CID 158096363) is 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone.

What is the SMILES notation for 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone?

The canonical SMILES for 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone is Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cc5ccccc5o4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccc(N)c4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccc(O)c4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4ccco4)c4c(n3)CC=C4)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Cc3cc(-c4cccs4)c4c(n3)CC=C4)c2)c1.

What is the InChIKey of 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone?

The InChIKey is FOSHDBJHFOWNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO2.C31H28N2O.C31H27NO2.C29H25NO2.C29H25NOS/c1-21-7-5-9-24(15-21)31(35)17-23-14-13-22(2)26(16-23)18-27-20-29(28-10-6-11-30(28)34-27)33-19-25-8-3-4-12-32(25)36-33;1-20-6-3-8-24(14-20)31(34)16-22-13-12-21(2)25(15-22)18-27-19-29(23-7-4-9-26(32)17-23)28-10-5-11-30(28)33-27;1-20-6-3-8-24(14-20)31(34)16-22-13-12-21(2)25(15-22)17-26-19-29(23-7-4-9-27(33)18-23)28-10-5-11-30(28)32-26;2*1-19-6-3-7-22(14-19)28(31)16-21-12-11-20(2)23(15-21)17-24-18-26(29-10-5-13-32-29)25-8-4-9-27(25)30-24/h3-10,12-16,19-20H,11,17-18H2,1-2H3;3-10,12-15,17,19H,11,16,18,32H2,1-2H3;3-10,12-15,18-19,33H,11,16-17H2,1-2H3;2*3-8,10-15,18H,9,16-17H2,1-2H3.

What are the key properties of 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone?

2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone has a molecular weight of 2214.84 g/mol, XLogP of 34.44, 30 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-(3-aminophenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(1-benzofuran-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(furan-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[[4-(3-hydroxyphenyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-thiophen-2-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 158096363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).