N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide

C33H37N7O3 — CID 157123997

About N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide

N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide (PubChem CID 157123997) has the molecular formula C33H37N7O3 and a molecular weight of 579.71 g/mol. Its IUPAC name is N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide
• PubChem CID: 157123997
• Molecular Formula: C33H37N7O3
• Molecular Weight: 579.71 g/mol
• Exact Mass: 579.30
• IUPAC Name: N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide
• SMILES: Cc1ccnc(CC(=O)c2ccc(-c3nc(C45CCC(NC(=O)CN6CCOCC6)(CC4)C5)n4ccnc(N)c34)cc2)c1
• InChI: InChI=1S/C33H37N7O3/c1-22-6-11-35-25(18-22)19-26(41)23-2-4-24(5-3-23)28-29-30(34)36-12-13-40(29)31(37-28)32-7-9-33(21-32,10-8-32)38-27(42)20-39-14-16-43-17-15-39/h2-6,11-13,18H,7-10,14-17,19-21H2,1H3,(H2,34,36)(H,38,42)
• InChIKey: ZVGKPCSMSVCYDX-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 127.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.71
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide?

The IUPAC name of N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide (CID 157123997) is N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide is Cc1ccnc(CC(=O)c2ccc(-c3nc(C45CCC(NC(=O)CN6CCOCC6)(CC4)C5)n4ccnc(N)c34)cc2)c1.

What is the InChIKey of N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide?

The InChIKey is ZVGKPCSMSVCYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O3/c1-22-6-11-35-25(18-22)19-26(41)23-2-4-24(5-3-23)28-29-30(34)36-12-13-40(29)31(37-28)32-7-9-33(21-32,10-8-32)38-27(42)20-39-14-16-43-17-15-39/h2-6,11-13,18H,7-10,14-17,19-21H2,1H3,(H2,34,36)(H,38,42).

What are the key properties of N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide?

N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide has a molecular weight of 579.71 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[8-amino-1-[4-[2-(4-methyl-2-pyridinyl)acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 157123997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).