2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole

C28H29N7O4 — CID 118009801

About 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole

2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 118009801) has the molecular formula C28H29N7O4 and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
• PubChem CID: 118009801
• Molecular Formula: C28H29N7O4
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.23
• IUPAC Name: 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
• SMILES: COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCNCC6)o5)cnc43)cc2OC)cn1
• InChI: InChI=1S/C28H29N7O4/c1-36-24-11-18(3-5-23(24)38-16-19-4-6-25(37-2)30-13-19)15-35-17-32-22-12-21(14-31-26(22)35)28-34-33-27(39-28)20-7-9-29-10-8-20/h3-6,11-14,17,20,29H,7-10,15-16H2,1-2H3
• InChIKey: NFYFLWXBIHYPII-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 122.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

The IUPAC name of 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole (CID 118009801) is 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

The canonical SMILES for 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole is COc1ccc(COc2ccc(Cn3cnc4cc(-c5nnc(C6CCNCC6)o5)cnc43)cc2OC)cn1.

What is the InChIKey of 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

The InChIKey is NFYFLWXBIHYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4/c1-36-24-11-18(3-5-23(24)38-16-19-4-6-25(37-2)30-13-19)15-35-17-32-22-12-21(14-31-26(22)35)28-34-33-27(39-28)20-7-9-29-10-8-20/h3-6,11-14,17,20,29H,7-10,15-16H2,1-2H3.

What are the key properties of 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole has a molecular weight of 527.59 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 118009801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).