4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

C22H21N7O2 — CID 71225955

About 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 71225955) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• PubChem CID: 71225955
• Molecular Formula: C22H21N7O2
• Molecular Weight: 415.46 g/mol
• Exact Mass: 415.18
• IUPAC Name: 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• SMILES: Nc1nccn2c([C@@H]3COCCN3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
• InChI: InChI=1S/C22H21N7O2/c23-20-19-18(28-21(29(19)11-9-26-20)16-13-31-12-10-24-16)14-4-6-15(7-5-14)22(30)27-17-3-1-2-8-25-17/h1-9,11,16,24H,10,12-13H2,(H2,23,26)(H,25,27,30)/t16-/m0/s1
• InChIKey: ISWACSRKFCVFFB-INIZCTEOSA-N
• XLogP: 2.29
• TPSA: 119.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.46
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The IUPAC name of 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 71225955) is 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The canonical SMILES for 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is Nc1nccn2c([C@@H]3COCCN3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.

What is the InChIKey of 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The InChIKey is ISWACSRKFCVFFB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N7O2/c23-20-19-18(28-21(29(19)11-9-26-20)16-13-31-12-10-24-16)14-4-6-15(7-5-14)22(30)27-17-3-1-2-8-25-17/h1-9,11,16,24H,10,12-13H2,(H2,23,26)(H,25,27,30)/t16-/m0/s1.

What are the key properties of 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 415.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 71225955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).