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

C28H25N7O — CID 136643384

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

7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 136643384) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is 7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 136643384
• Molecular Formula: C28H25N7O
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.21
• IUPAC Name: 7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)co1
• InChI: InChI=1S/C28H25N7O/c1-2-7-35(8-3-1)16-18-10-21(13-29-12-18)19-4-5-24-22(11-19)27(34-33-24)28-31-25-15-30-14-23(26(25)32-28)20-6-9-36-17-20/h4-6,9-15,17H,1-3,7-8,16H2,(H,31,32)(H,33,34)
• InChIKey: CBHMRSNJIYKKQY-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 99.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (CID 136643384) is 7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)co1.

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

The InChIKey is CBHMRSNJIYKKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-2-7-35(8-3-1)16-18-10-21(13-29-12-18)19-4-5-24-22(11-19)27(34-33-24)28-31-25-15-30-14-23(26(25)32-28)20-6-9-36-17-20/h4-6,9-15,17H,1-3,7-8,16H2,(H,31,32)(H,33,34).

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

7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 475.56 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136643384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).