4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one

C24H26N8O — CID 143888804

About 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one

4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one (PubChem CID 143888804) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one
• PubChem CID: 143888804
• Molecular Formula: C24H26N8O
• Molecular Weight: 442.53 g/mol
• Exact Mass: 442.22
• IUPAC Name: 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one
• SMILES: CC(C)N1CC2CC1CN2c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ncnc23)cc1
• InChI: InChI=1S/C24H26N8O/c1-15(2)30-12-20-10-19(30)13-31(20)18-5-3-17(4-6-18)29-23-24-27-14-28-32(24)21(11-26-23)16-7-8-25-22(33)9-16/h3-9,11,14-15,19-20H,10,12-13H2,1-2H3,(H,25,33)(H,26,29)
• InChIKey: HQRVMEONAQDZGM-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 94.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.53
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one?

The IUPAC name of 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one (CID 143888804) is 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one.

What is the SMILES notation for 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one?

The canonical SMILES for 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one is CC(C)N1CC2CC1CN2c1ccc(Nc2ncc(-c3cc[nH]c(=O)c3)n3ncnc23)cc1.

What is the InChIKey of 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one?

The InChIKey is HQRVMEONAQDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-15(2)30-12-20-10-19(30)13-31(20)18-5-3-17(4-6-18)29-23-24-27-14-28-32(24)21(11-26-23)16-7-8-25-22(33)9-16/h3-9,11,14-15,19-20H,10,12-13H2,1-2H3,(H,25,33)(H,26,29).

What are the key properties of 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one?

4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one has a molecular weight of 442.53 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[4-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 143888804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).