6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C23H29N7O — CID 164920394

About 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920394) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164920394
• Molecular Formula: C23H29N7O
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.24
• IUPAC Name: 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1cc(C(=C/N)/C(C)=N/C2CN(C3CC4CNC(C4)C3)C2)cn2ncc(C#N)c12
• InChI: InChI=1S/C23H29N7O/c1-14(28-19-12-29(13-19)20-4-15-3-18(6-20)26-9-15)21(8-25)16-5-22(31-2)23-17(7-24)10-27-30(23)11-16/h5,8,10-11,15,18-20,26H,3-4,6,9,12-13,25H2,1-2H3/b21-8+,28-14+
• InChIKey: KAJSYFNRLUKCRG-GWVIECHASA-N
• XLogP: 1.80
• TPSA: 103.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920394) is 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(C(=C/N)/C(C)=N/C2CN(C3CC4CNC(C4)C3)C2)cn2ncc(C#N)c12.

What is the InChIKey of 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is KAJSYFNRLUKCRG-GWVIECHASA-N. The full InChI is InChI=1S/C23H29N7O/c1-14(28-19-12-29(13-19)20-4-15-3-18(6-20)26-9-15)21(8-25)16-5-22(31-2)23-17(7-24)10-27-30(23)11-16/h5,8,10-11,15,18-20,26H,3-4,6,9,12-13,25H2,1-2H3/b21-8+,28-14+.

What are the key properties of 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 419.53 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-1-amino-3-[1-(6-azabicyclo[3.2.1]octan-3-yl)azetidin-3-yl]iminobut-1-en-2-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).