4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

C30H22N6O2 — CID 145033954

About 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine

4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 145033954) has the molecular formula C30H22N6O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145033954
• Molecular Formula: C30H22N6O2
• Molecular Weight: 498.55 g/mol
• Exact Mass: 498.18
• IUPAC Name: 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
• SMILES: Cc1cc2[nH]nc(-c3nc4c(-c5ccoc5)nccc4[nH]3)c2cc1-c1cncc(OCc2ccccc2)c1
• InChI: InChI=1S/C30H22N6O2/c1-18-11-26-24(13-23(18)21-12-22(15-31-14-21)38-16-19-5-3-2-4-6-19)28(36-35-26)30-33-25-7-9-32-27(29(25)34-30)20-8-10-37-17-20/h2-15,17H,16H2,1H3,(H,33,34)(H,35,36)
• InChIKey: ZIZZNYNMKBCQMV-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 105.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.55
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 145033954) is 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Cc1cc2[nH]nc(-c3nc4c(-c5ccoc5)nccc4[nH]3)c2cc1-c1cncc(OCc2ccccc2)c1.

What is the InChIKey of 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

The InChIKey is ZIZZNYNMKBCQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6O2/c1-18-11-26-24(13-23(18)21-12-22(15-31-14-21)38-16-19-5-3-2-4-6-19)28(36-35-26)30-33-25-7-9-32-27(29(25)34-30)20-8-10-37-17-20/h2-15,17H,16H2,1H3,(H,33,34)(H,35,36).

What are the key properties of 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?

4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 498.55 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-3-yl)-2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145033954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).