4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide

C31H32N8O3 — CID 122521955

About 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide

4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide (PubChem CID 122521955) has the molecular formula C31H32N8O3 and a molecular weight of 564.65 g/mol. Its IUPAC name is 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide.

Molecular Properties

• Compound Name: 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide
• PubChem CID: 122521955
• Molecular Formula: C31H32N8O3
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.26
• IUPAC Name: 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide
• SMILES: COc1ccc(CNc2nccn3c(C4CCCn5c(C6CC6)nnc54)nc(-c4ccc(C(N)=O)cc4)c23)c(OC)c1
• InChI: InChI=1S/C31H32N8O3/c1-41-22-12-11-21(24(16-22)42-2)17-34-28-26-25(18-5-7-19(8-6-18)27(32)40)35-30(38(26)15-13-33-28)23-4-3-14-39-29(20-9-10-20)36-37-31(23)39/h5-8,11-13,15-16,20,23H,3-4,9-10,14,17H2,1-2H3,(H2,32,40)(H,33,34)
• InChIKey: IQKFYRHFXYKJAB-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 134.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide?

The IUPAC name of 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide (CID 122521955) is 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide.

What is the SMILES notation for 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide?

The canonical SMILES for 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide is COc1ccc(CNc2nccn3c(C4CCCn5c(C6CC6)nnc54)nc(-c4ccc(C(N)=O)cc4)c23)c(OC)c1.

What is the InChIKey of 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide?

The InChIKey is IQKFYRHFXYKJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O3/c1-41-22-12-11-21(24(16-22)42-2)17-34-28-26-25(18-5-7-19(8-6-18)27(32)40)35-30(38(26)15-13-33-28)23-4-3-14-39-29(20-9-10-20)36-37-31(23)39/h5-8,11-13,15-16,20,23H,3-4,9-10,14,17H2,1-2H3,(H2,32,40)(H,33,34).

What are the key properties of 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide?

4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide has a molecular weight of 564.65 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-8-[(2,4-dimethoxyphenyl)methylamino]imidazo[1,5-a]pyrazin-1-yl]benzamide is sourced from PubChem (CID 122521955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).