6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine

C25H29N5O — CID 97415345

About 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine

6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine (PubChem CID 97415345) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine
• PubChem CID: 97415345
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine
• SMILES: Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)o1
• InChI: InChI=1S/C25H29N5O/c1-17(2)30-16-27-25-23(30)13-22(28-24(25)20-5-4-10-26-14-20)19-8-11-29(12-9-19)15-21-7-6-18(3)31-21/h4-7,10,13-14,16-17,19H,8-9,11-12,15H2,1-3H3
• InChIKey: RADRLSYQFRQCSE-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 59.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine?

The IUPAC name of 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine (CID 97415345) is 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine.

What is the SMILES notation for 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine?

The canonical SMILES for 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine is Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)o1.

What is the InChIKey of 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine?

The InChIKey is RADRLSYQFRQCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17(2)30-16-27-25-23(30)13-22(28-24(25)20-5-4-10-26-14-20)19-8-11-29(12-9-19)15-21-7-6-18(3)31-21/h4-7,10,13-14,16-17,19H,8-9,11-12,15H2,1-3H3.

What are the key properties of 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine?

6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine has a molecular weight of 415.54 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 97415345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).