4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride

C23H32Cl3N7O2 — CID 164705096

About 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride

4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride (PubChem CID 164705096) has the molecular formula C23H32Cl3N7O2 and a molecular weight of 544.92 g/mol. Its IUPAC name is 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride.

Molecular Properties

• Compound Name: 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride
• PubChem CID: 164705096
• Molecular Formula: C23H32Cl3N7O2
• Molecular Weight: 544.92 g/mol
• Exact Mass: 543.17
• IUPAC Name: 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride
• SMILES: COc1cc(-c2cnn(C3CCN(CC4(OC)CNC4)CC3)c2C)cn2ncc(C#N)c12.Cl.Cl.Cl
• InChI: InChI=1S/C23H29N7O2.3ClH/c1-16-20(17-8-21(31-2)22-18(9-24)10-26-29(22)12-17)11-27-30(16)19-4-6-28(7-5-19)15-23(32-3)13-25-14-23;;;/h8,10-12,19,25H,4-7,13-15H2,1-3H3;3*1H
• InChIKey: FWERZDRBWRLGOQ-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 92.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.92
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride?

The IUPAC name of 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride (CID 164705096) is 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride.

What is the SMILES notation for 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride?

The canonical SMILES for 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride is COc1cc(-c2cnn(C3CCN(CC4(OC)CNC4)CC3)c2C)cn2ncc(C#N)c12.Cl.Cl.Cl.

What is the InChIKey of 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride?

The InChIKey is FWERZDRBWRLGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2.3ClH/c1-16-20(17-8-21(31-2)22-18(9-24)10-26-29(22)12-17)11-27-30(16)19-4-6-28(7-5-19)15-23(32-3)13-25-14-23;;;/h8,10-12,19,25H,4-7,13-15H2,1-3H3;3*1H.

What are the key properties of 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride?

4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride has a molecular weight of 544.92 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-[1-[1-[(3-methoxyazetidin-3-yl)methyl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;trihydrochloride is sourced from PubChem (CID 164705096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).