6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H25N7O — CID 170712449

About 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 170712449) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 170712449
• Molecular Formula: C26H25N7O
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.21
• IUPAC Name: 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1cc(-c2ccc(N3CC4CCC(C3)N4Cc3ccc(=O)[nH]c3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C26H25N7O/c1-17-8-23(26-20(9-27)12-30-33(26)13-17)19-3-6-24(28-11-19)31-15-21-4-5-22(16-31)32(21)14-18-2-7-25(34)29-10-18/h2-3,6-8,10-13,21-22H,4-5,14-16H2,1H3,(H,29,34)
• InChIKey: UJQAJFOZPAEXMA-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 93.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 170712449) is 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cc(-c2ccc(N3CC4CCC(C3)N4Cc3ccc(=O)[nH]c3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UJQAJFOZPAEXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-17-8-23(26-20(9-27)12-30-33(26)13-17)19-3-6-24(28-11-19)31-15-21-4-5-22(16-31)32(21)14-18-2-7-25(34)29-10-18/h2-3,6-8,10-13,21-22H,4-5,14-16H2,1H3,(H,29,34).

What are the key properties of 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 451.53 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[6-[8-[(6-oxo-1H-pyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 170712449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).