4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C29H27N7O3 — CID 147012489

About 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 147012489) has the molecular formula C29H27N7O3 and a molecular weight of 521.58 g/mol. Its IUPAC name is 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 147012489
• Molecular Formula: C29H27N7O3
• Molecular Weight: 521.58 g/mol
• Exact Mass: 521.22
• IUPAC Name: 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCC(CO)(CC(=O)c4ncccc4C#N)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H27N7O3/c1-2-39-23-12-24(28-22(15-31)17-34-36(28)18-23)21-5-6-26(33-16-21)35-10-7-29(19-37,8-11-35)13-25(38)27-20(14-30)4-3-9-32-27/h3-6,9,12,16-18,37H,2,7-8,10-11,13,19H2,1H3
• InChIKey: AUDFCJYBVNCBHE-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 140.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.58
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 147012489) is 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(CO)(CC(=O)c4ncccc4C#N)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is AUDFCJYBVNCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O3/c1-2-39-23-12-24(28-22(15-31)17-34-36(28)18-23)21-5-6-26(33-16-21)35-10-7-29(19-37,8-11-35)13-25(38)27-20(14-30)4-3-9-32-27/h3-6,9,12,16-18,37H,2,7-8,10-11,13,19H2,1H3.

What are the key properties of 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 521.58 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 147012489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).