5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine

C29H31N7O — CID 139424507

About 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine

5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 139424507) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 139424507
• Molecular Formula: C29H31N7O
• Molecular Weight: 493.62 g/mol
• Exact Mass: 493.26
• IUPAC Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1cc(N2CCCCC2)c2nc(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)nc34)[nH]c2c1
• InChI: InChI=1S/C29H31N7O/c1-3-8-20(9-4-1)37-21-16-19(17-30-18-21)22-12-13-24-27(31-22)28(35-34-24)29-32-23-10-7-11-25(26(23)33-29)36-14-5-2-6-15-36/h7,10-13,16-18,20H,1-6,8-9,14-15H2,(H,32,33)(H,34,35)
• InChIKey: UGUSONRUALEIRX-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.62
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 139424507) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is c1cc(N2CCCCC2)c2nc(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)nc34)[nH]c2c1.

What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is UGUSONRUALEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-3-8-20(9-4-1)37-21-16-19(17-30-18-21)22-12-13-24-27(31-22)28(35-34-24)29-32-23-10-7-11-25(26(23)33-29)36-14-5-2-6-15-36/h7,10-13,16-18,20H,1-6,8-9,14-15H2,(H,32,33)(H,34,35).

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

5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 493.62 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 139424507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).