6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H32N8O2 — CID 148688131

About 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 148688131) has the molecular formula C32H32N8O2 and a molecular weight of 560.66 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 148688131
• Molecular Formula: C32H32N8O2
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.26
• IUPAC Name: 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCC(CC(=O)c4cncn4C)(Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C32H32N8O2/c1-3-42-26-14-27(31-24(17-33)19-37-40(31)21-26)23-7-8-30(36-18-23)39-12-9-32(10-13-39,15-25-6-4-5-11-35-25)16-29(41)28-20-34-22-38(28)2/h4-8,11,14,18-22H,3,9-10,12-13,15-16H2,1-2H3
• InChIKey: NSXMSSVHSKWFID-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 114.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 148688131) is 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(CC(=O)c4cncn4C)(Cc4ccccn4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NSXMSSVHSKWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O2/c1-3-42-26-14-27(31-24(17-33)19-37-40(31)21-26)23-7-8-30(36-18-23)39-12-9-32(10-13-39,15-25-6-4-5-11-35-25)16-29(41)28-20-34-22-38(28)2/h4-8,11,14,18-22H,3,9-10,12-13,15-16H2,1-2H3.

What are the key properties of 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 560.66 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[4-[2-(3-methylimidazol-4-yl)-2-oxoethyl]-4-(pyridin-2-ylmethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 148688131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).