4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C29H24FN7O — CID 136936779

About 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936779) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136936779
• Molecular Formula: C29H24FN7O
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.20
• IUPAC Name: 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• SMILES: Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc12
• InChI: InChI=1S/C29H24FN7O/c30-23-4-2-1-3-21(23)26-28-25(9-12-33-26)34-29(35-28)27-22-14-17(5-6-24(22)36-37-27)18-13-20(16-32-15-18)38-19-7-10-31-11-8-19/h1-6,9,12-16,19,31H,7-8,10-11H2,(H,34,35)(H,36,37)
• InChIKey: RMSLEVHZVHTSPI-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 104.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936779) is 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc12.

What is the InChIKey of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The InChIKey is RMSLEVHZVHTSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c30-23-4-2-1-3-21(23)26-28-25(9-12-33-26)34-29(35-28)27-22-14-17(5-6-24(22)36-37-27)18-13-20(16-32-15-18)38-19-7-10-31-11-8-19/h1-6,9,12-16,19,31H,7-8,10-11H2,(H,34,35)(H,36,37).

What are the key properties of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 505.56 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).