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

C25H24F3N7O3 — CID 71223410

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

8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 71223410) has the molecular formula C25H24F3N7O3 and a molecular weight of 527.51 g/mol. Its IUPAC name is 8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 71223410
• Molecular Formula: C25H24F3N7O3
• Molecular Weight: 527.51 g/mol
• Exact Mass: 527.19
• IUPAC Name: 8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
• SMILES: COCCCNC(=O)c1cnc(N)c2c(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)nc(C)n12
• InChI: InChI=1S/C25H24F3N7O3/c1-14-33-20(21-22(29)32-13-18(35(14)21)24(37)31-9-3-11-38-2)15-4-6-16(7-5-15)23(36)34-19-12-17(8-10-30-19)25(26,27)28/h4-8,10,12-13H,3,9,11H2,1-2H3,(H2,29,32)(H,31,37)(H,30,34,36)
• InChIKey: GNULQYCQNUXLLK-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 136.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.51
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (CID 71223410) is 8-amino-N-(3-methoxypropyl)-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-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is COCCCNC(=O)c1cnc(N)c2c(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)nc(C)n12.

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

The InChIKey is GNULQYCQNUXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O3/c1-14-33-20(21-22(29)32-13-18(35(14)21)24(37)31-9-3-11-38-2)15-4-6-16(7-5-15)23(36)34-19-12-17(8-10-30-19)25(26,27)28/h4-8,10,12-13H,3,9,11H2,1-2H3,(H2,29,32)(H,31,37)(H,30,34,36).

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

8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 527.51 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-N-(3-methoxypropyl)-3-methyl-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 71223410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).