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

C29H30FN9O — CID 162427381

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

6-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162427381) has the molecular formula C29H30FN9O and a molecular weight of 539.62 g/mol. Its IUPAC name is 6-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-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-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162427381
• Molecular Formula: C29H30FN9O
• Molecular Weight: 539.62 g/mol
• Exact Mass: 539.26
• IUPAC Name: 6-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(NCC5(F)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C29H30FN9O/c1-40-27-5-2-19(9-34-27)12-38-23-7-24(38)15-37(14-23)26-4-3-20(10-33-26)25-6-22(35-18-29(30)16-32-17-29)13-39-28(25)21(8-31)11-36-39/h2-6,9-11,13,23-24,32,35H,7,12,14-18H2,1H3
• InChIKey: HDVPUYLWINHSBU-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 106.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.62
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-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-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162427381) is 6-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-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-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-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-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(NCC5(F)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1.

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

The InChIKey is HDVPUYLWINHSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN9O/c1-40-27-5-2-19(9-34-27)12-38-23-7-24(38)15-37(14-23)26-4-3-20(10-33-26)25-6-22(35-18-29(30)16-32-17-29)13-39-28(25)21(8-31)11-36-39/h2-6,9-11,13,23-24,32,35H,7,12,14-18H2,1H3.

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

6-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-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 539.62 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-fluoroazetidin-3-yl)methylamino]-4-[6-[6-[(6-methoxy-3-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 162427381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).