6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H25N7OS — CID 167067372

About 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167067372) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167067372
• Molecular Formula: C25H25N7OS
• Molecular Weight: 471.59 g/mol
• Exact Mass: 471.18
• IUPAC Name: 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1cc(-c2ccc(N3CCN(Cc4ccc(SC)cn4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C25H25N7OS/c1-33-21-11-23(25-19(12-26)14-29-32(25)17-21)18-3-6-24(28-13-18)31-9-7-30(8-10-31)16-20-4-5-22(34-2)15-27-20/h3-6,11,13-15,17H,7-10,16H2,1-2H3
• InChIKey: HOXWOPBZQBDVEG-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 82.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.59
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167067372) is 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(-c2ccc(N3CCN(Cc4ccc(SC)cn4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is HOXWOPBZQBDVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-33-21-11-23(25-19(12-26)14-29-32(25)17-21)18-3-6-24(28-13-18)31-9-7-30(8-10-31)16-20-4-5-22(34-2)15-27-20/h3-6,11,13-15,17H,7-10,16H2,1-2H3.

What are the key properties of 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 471.59 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-4-[6-[4-[(5-methylsulfanyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167067372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).