5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid

C24H15F3N6O4 — CID 121455834

About 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid

5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid (PubChem CID 121455834) has the molecular formula C24H15F3N6O4 and a molecular weight of 508.42 g/mol. Its IUPAC name is 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid
• PubChem CID: 121455834
• Molecular Formula: C24H15F3N6O4
• Molecular Weight: 508.42 g/mol
• Exact Mass: 508.11
• IUPAC Name: 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid
• SMILES: Nc1nccn2c(-c3ccc(C(=O)O)o3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
• InChI: InChI=1S/C24H15F3N6O4/c25-24(26,27)14-7-8-29-17(11-14)31-22(34)13-3-1-12(2-4-13)18-19-20(28)30-9-10-33(19)21(32-18)15-5-6-16(37-15)23(35)36/h1-11H,(H2,28,30)(H,35,36)(H,29,31,34)
• InChIKey: BNGYEVZYURCTJJ-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 148.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.42
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid?

The IUPAC name of 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid (CID 121455834) is 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid.

What is the SMILES notation for 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid?

The canonical SMILES for 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid is Nc1nccn2c(-c3ccc(C(=O)O)o3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.

What is the InChIKey of 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid?

The InChIKey is BNGYEVZYURCTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O4/c25-24(26,27)14-7-8-29-17(11-14)31-22(34)13-3-1-12(2-4-13)18-19-20(28)30-9-10-33(19)21(32-18)15-5-6-16(37-15)23(35)36/h1-11H,(H2,28,30)(H,35,36)(H,29,31,34).

What are the key properties of 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid?

5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid has a molecular weight of 508.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]furan-2-carboxylic acid is sourced from PubChem (CID 121455834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).