2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

C26H24N8O3 — CID 163257069

About 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 163257069) has the molecular formula C26H24N8O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 163257069
• Molecular Formula: C26H24N8O3
• Molecular Weight: 496.53 g/mol
• Exact Mass: 496.20
• IUPAC Name: 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc4oc(N)nc4c3)c2=O)CN1
• InChI: InChI=1S/C26H24N8O3/c1-15-13-33-21(12-29-15)23(34(26(33)36)17-6-7-22-20(10-17)32-25(27)37-22)24(35)30-11-16-4-2-3-5-18(16)19-8-9-28-14-31-19/h2-10,14-15,29H,11-13H2,1H3,(H2,27,32)(H,30,35)
• InChIKey: AIQGXMVJFZRCJZ-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 145.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.53
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (CID 163257069) is 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is CC1Cn2c(c(C(=O)NCc3ccccc3-c3ccncn3)n(-c3ccc4oc(N)nc4c3)c2=O)CN1.

What is the InChIKey of 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is AIQGXMVJFZRCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3/c1-15-13-33-21(12-29-15)23(34(26(33)36)17-6-7-22-20(10-17)32-25(27)37-22)24(35)30-11-16-4-2-3-5-18(16)19-8-9-28-14-31-19/h2-10,14-15,29H,11-13H2,1H3,(H2,27,32)(H,30,35).

What are the key properties of 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?

2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-1,3-benzoxazol-5-yl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 163257069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).