2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

C30H26N6O — CID 137283050

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 137283050) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 137283050
• Molecular Formula: C30H26N6O
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.22
• IUPAC Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: c1cncc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1
• InChI: InChI=1S/C30H26N6O/c1-2-6-22(7-3-1)37-23-13-21(17-32-18-23)19-8-9-27-26(14-19)29(36-35-27)28-15-25-24(10-12-33-30(25)34-28)20-5-4-11-31-16-20/h4-5,8-18,22H,1-3,6-7H2,(H,33,34)(H,35,36)
• InChIKey: MWBPTQZDPLFETO-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 137283050) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is c1cncc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1.

What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is MWBPTQZDPLFETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O/c1-2-6-22(7-3-1)37-23-13-21(17-32-18-23)19-8-9-27-26(14-19)29(36-35-27)28-15-25-24(10-12-33-30(25)34-28)20-5-4-11-31-16-20/h4-5,8-18,22H,1-3,6-7H2,(H,33,34)(H,35,36).

What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine?

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 486.58 g/mol, XLogP of 6.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137283050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).