8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide

C28H22F3N7O2 — CID 71222749

About 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide

8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 71222749) has the molecular formula C28H22F3N7O2 and a molecular weight of 545.53 g/mol. Its IUPAC name is 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 71222749
• Molecular Formula: C28H22F3N7O2
• Molecular Weight: 545.53 g/mol
• Exact Mass: 545.18
• IUPAC Name: 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
• SMILES: Cc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3ccccc3)n12
• InChI: InChI=1S/C28H22F3N7O2/c1-16-36-23(24-25(32)34-15-21(38(16)24)27(40)35-14-17-5-3-2-4-6-17)18-7-9-19(10-8-18)26(39)37-22-13-20(11-12-33-22)28(29,30)31/h2-13,15H,14H2,1H3,(H2,32,34)(H,35,40)(H,33,37,39)
• InChIKey: AYADLLNNWVFLJX-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 127.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.53
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (CID 71222749) is 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is Cc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3ccccc3)n12.

What is the InChIKey of 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is AYADLLNNWVFLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N7O2/c1-16-36-23(24-25(32)34-15-21(38(16)24)27(40)35-14-17-5-3-2-4-6-17)18-7-9-19(10-8-18)26(39)37-22-13-20(11-12-33-22)28(29,30)31/h2-13,15H,14H2,1H3,(H2,32,34)(H,35,40)(H,33,37,39).

What are the key properties of 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?

8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 545.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-N-benzyl-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 71222749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).