6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H33F3N6O3 — CID 147776641

About 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 147776641) has the molecular formula C29H33F3N6O3 and a molecular weight of 570.62 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 147776641
• Molecular Formula: C29H33F3N6O3
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.26
• IUPAC Name: 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCC(CC(=O)CC(F)(F)F)(CN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H33F3N6O3/c1-2-41-24-13-25(27-22(16-33)18-35-38(27)19-24)21-3-4-26(34-17-21)37-7-5-28(6-8-37,14-23(39)15-29(30,31)32)20-36-9-11-40-12-10-36/h3-4,13,17-19H,2,5-12,14-15,20H2,1H3
• InChIKey: HGYWCINSCGTRJZ-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 95.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 147776641) is 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(CC(=O)CC(F)(F)F)(CN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is HGYWCINSCGTRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N6O3/c1-2-41-24-13-25(27-22(16-33)18-35-38(27)19-24)21-3-4-26(34-17-21)37-7-5-28(6-8-37,14-23(39)15-29(30,31)32)20-36-9-11-40-12-10-36/h3-4,13,17-19H,2,5-12,14-15,20H2,1H3.

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

6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 570.62 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 147776641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).