5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one

C118H109N11O8 — CID 158570176

About 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one

5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one (PubChem CID 158570176) has the molecular formula C118H109N11O8 and a molecular weight of 1809.24 g/mol. Its IUPAC name is 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one
• PubChem CID: 158570176
• Molecular Formula: C118H109N11O8
• Molecular Weight: 1809.24 g/mol
• Exact Mass: 1807.85
• IUPAC Name: 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one
• SMILES: CC(C)c1nc(-c2ccc3c(c2)C(=O)NC3)ccc1-c1ccc2c(c1)C(=O)CC2.CC(C)c1nc(-c2cnc3[nH]ccc3c2)ccc1-c1cnc2c(c1)C=CC2.CC(C)c1nc(C#CC(C)(C)O)ccc1-c1ccc2c(c1)C(=O)CC2.CC(C)c1ncc(-c2ccc3c(c2)C(=O)NC3)cc1-c1ccc2c(c1)C(=O)CC2.COc1cc(-c2ccc(-c3ccc4c(c3)C(=O)CC4)c(C(C)C)n2)ccn1
• InChI: InChI=1S/2C25H22N2O2.C23H20N4.C23H22N2O2.C22H23NO2/c1-14(2)24-21(17-5-3-15-7-8-23(28)20(15)10-17)11-19(13-26-24)16-4-6-18-12-27-25(29)22(18)9-16;1-14(2)24-19(16-4-3-15-7-10-23(28)20(15)11-16)8-9-22(27-24)17-5-6-18-13-26-25(29)21(18)12-17;1-14(2)22-19(17-10-15-4-3-5-20(15)25-12-17)6-7-21(27-22)18-11-16-8-9-24-23(16)26-13-18;1-14(2)23-18(16-5-4-15-6-9-21(26)19(15)12-16)7-8-20(25-23)17-10-11-24-22(13-17)27-3;1-14(2)21-18(9-8-17(23-21)11-12-22(3,4)25)16-6-5-15-7-10-20(24)19(15)13-16/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,27,29);3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,26,29);3-4,6-14H,5H2,1-2H3,(H,24,26);4-5,7-8,10-14H,6,9H2,1-3H3;5-6,8-9,13-14,25H,7,10H2,1-4H3
• InChIKey: HRZDAYMGBHCXPH-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 274.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1809.24
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one?

The IUPAC name of 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one (CID 158570176) is 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one?

The canonical SMILES for 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one is CC(C)c1nc(-c2ccc3c(c2)C(=O)NC3)ccc1-c1ccc2c(c1)C(=O)CC2.CC(C)c1nc(-c2cnc3[nH]ccc3c2)ccc1-c1cnc2c(c1)C=CC2.CC(C)c1nc(C#CC(C)(C)O)ccc1-c1ccc2c(c1)C(=O)CC2.CC(C)c1ncc(-c2ccc3c(c2)C(=O)NC3)cc1-c1ccc2c(c1)C(=O)CC2.COc1cc(-c2ccc(-c3ccc4c(c3)C(=O)CC4)c(C(C)C)n2)ccn1.

What is the InChIKey of 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one?

The InChIKey is HRZDAYMGBHCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22N2O2.C23H20N4.C23H22N2O2.C22H23NO2/c1-14(2)24-21(17-5-3-15-7-8-23(28)20(15)10-17)11-19(13-26-24)16-4-6-18-12-27-25(29)22(18)9-16;1-14(2)24-19(16-4-3-15-7-10-23(28)20(15)11-16)8-9-22(27-24)17-5-6-18-13-26-25(29)21(18)12-17;1-14(2)22-19(17-10-15-4-3-5-20(15)25-12-17)6-7-21(27-22)18-11-16-8-9-24-23(16)26-13-18;1-14(2)23-18(16-5-4-15-6-9-21(26)19(15)12-16)7-8-20(25-23)17-10-11-24-22(13-17)27-3;1-14(2)21-18(9-8-17(23-21)11-12-22(3,4)25)16-6-5-15-7-10-20(24)19(15)13-16/h3-6,9-11,13-14H,7-8,12H2,1-2H3,(H,27,29);3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,26,29);3-4,6-14H,5H2,1-2H3,(H,24,26);4-5,7-8,10-14H,6,9H2,1-3H3;5-6,8-9,13-14,25H,7,10H2,1-4H3.

What are the key properties of 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one?

5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one has a molecular weight of 1809.24 g/mol, XLogP of 24.40, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-2-pyridinyl]-2,3-dihydroisoindol-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158570176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).