2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine

C28H24FN7O — CID 137135399

About 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine

2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137135399) has the molecular formula C28H24FN7O and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137135399
• Molecular Formula: C28H24FN7O
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.20
• IUPAC Name: 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
• InChI: InChI=1S/C28H24FN7O/c29-24-20(19-12-17(13-30-14-19)15-36-9-2-1-3-10-36)4-5-22-23(24)26(35-34-22)28-32-25-21(18-7-11-37-16-18)6-8-31-27(25)33-28/h4-8,11-14,16H,1-3,9-10,15H2,(H,34,35)(H,31,32,33)
• InChIKey: ZHCCUKVLSURATM-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 99.52 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	493.55
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine (CID 137135399) is 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12.

What is the InChIKey of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?

The InChIKey is ZHCCUKVLSURATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O/c29-24-20(19-12-17(13-30-14-19)15-36-9-2-1-3-10-36)4-5-22-23(24)26(35-34-22)28-32-25-21(18-7-11-37-16-18)6-8-31-27(25)33-28/h4-8,11-14,16H,1-3,9-10,15H2,(H,34,35)(H,31,32,33).

What are the key properties of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine?

2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 493.55 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137135399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).