4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile

C21H19N7O — CID 59198944

About 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile

4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile (PubChem CID 59198944) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile
• PubChem CID: 59198944
• Molecular Formula: C21H19N7O
• Molecular Weight: 385.43 g/mol
• Exact Mass: 385.17
• IUPAC Name: 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2cccn3nc(Nc4cnn(C5CCOCC5)c4)nc23)cc1
• InChI: InChI=1S/C21H19N7O/c22-12-15-3-5-16(6-4-15)19-2-1-9-27-20(19)25-21(26-27)24-17-13-23-28(14-17)18-7-10-29-11-8-18/h1-6,9,13-14,18H,7-8,10-11H2,(H,24,26)
• InChIKey: BRROGOZBQCFOTC-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 93.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.43
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile?

The IUPAC name of 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile (CID 59198944) is 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile.

What is the SMILES notation for 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile?

The canonical SMILES for 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile is N#Cc1ccc(-c2cccn3nc(Nc4cnn(C5CCOCC5)c4)nc23)cc1.

What is the InChIKey of 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile?

The InChIKey is BRROGOZBQCFOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c22-12-15-3-5-16(6-4-15)19-2-1-9-27-20(19)25-21(26-27)24-17-13-23-28(14-17)18-7-10-29-11-8-18/h1-6,9,13-14,18H,7-8,10-11H2,(H,24,26).

What are the key properties of 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile?

4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile has a molecular weight of 385.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile is sourced from PubChem (CID 59198944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).