N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide

C23H28N6O — CID 138702511

About N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide

N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide (PubChem CID 138702511) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
• PubChem CID: 138702511
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1nc2c(-c3ccc(CN4CC(NC5CC5)C4)cc3)cccn2n1
• InChI: InChI=1S/C23H28N6O/c1-15(2)22(30)26-23-25-21-20(4-3-11-29(21)27-23)17-7-5-16(6-8-17)12-28-13-19(14-28)24-18-9-10-18/h3-8,11,15,18-19,24H,9-10,12-14H2,1-2H3,(H,26,27,30)
• InChIKey: ZCDMFVVEXFYEJO-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

The IUPAC name of N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide (CID 138702511) is N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide.

What is the SMILES notation for N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

The canonical SMILES for N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc2c(-c3ccc(CN4CC(NC5CC5)C4)cc3)cccn2n1.

What is the InChIKey of N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

The InChIKey is ZCDMFVVEXFYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15(2)22(30)26-23-25-21-20(4-3-11-29(21)27-23)17-7-5-16(6-8-17)12-28-13-19(14-28)24-18-9-10-18/h3-8,11,15,18-19,24H,9-10,12-14H2,1-2H3,(H,26,27,30).

What are the key properties of N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide has a molecular weight of 404.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[4-[[3-(cyclopropylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 138702511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).