6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H25N7S — CID 167637977

About 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167637977) has the molecular formula C26H25N7S and a molecular weight of 467.60 g/mol. Its IUPAC name is 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167637977
• Molecular Formula: C26H25N7S
• Molecular Weight: 467.60 g/mol
• Exact Mass: 467.19
• IUPAC Name: 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C)cn5ncc(C#N)c45)cn2)C3)nc1
• InChI: InChI=1S/C26H25N7S/c1-17-7-24(26-19(9-27)11-30-33(26)13-17)18-3-6-25(29-10-18)31-15-21-8-22(16-31)32(21)14-20-4-5-23(34-2)12-28-20/h3-7,10-13,21-22H,8,14-16H2,1-2H3
• InChIKey: RNSGBPZHCSRFIQ-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 73.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.60
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167637977) is 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(C)cn5ncc(C#N)c45)cn2)C3)nc1.

What is the InChIKey of 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is RNSGBPZHCSRFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7S/c1-17-7-24(26-19(9-27)11-30-33(26)13-17)18-3-6-25(29-10-18)31-15-21-8-22(16-31)32(21)14-20-4-5-23(34-2)12-28-20/h3-7,10-13,21-22H,8,14-16H2,1-2H3.

What are the key properties of 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 467.60 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[6-[6-[(5-methylsulfanyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167637977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).