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

C28H27N9 — CID 137109702

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

3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109702) has the molecular formula C28H27N9 and a molecular weight of 489.59 g/mol. Its IUPAC name is 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137109702
• Molecular Formula: C28H27N9
• Molecular Weight: 489.59 g/mol
• Exact Mass: 489.24
• IUPAC Name: 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)nc23)cn1
• InChI: InChI=1S/C28H27N9/c1-18-15-37(17-30-18)24-7-5-6-22-25(24)33-28(32-22)27-26-23(34-35-27)9-8-21(31-26)20-12-19(13-29-14-20)16-36-10-3-2-4-11-36/h5-9,12-15,17H,2-4,10-11,16H2,1H3,(H,32,33)(H,34,35)
• InChIKey: IOHCEXZXZVWVMO-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 104.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.59
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137109702) is 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)nc23)cn1.

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

The InChIKey is IOHCEXZXZVWVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N9/c1-18-15-37(17-30-18)24-7-5-6-22-25(24)33-28(32-22)27-26-23(34-35-27)9-8-21(31-26)20-12-19(13-29-14-20)16-36-10-3-2-4-11-36/h5-9,12-15,17H,2-4,10-11,16H2,1H3,(H,32,33)(H,34,35).

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

3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 489.59 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).