6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C24H26F3N5O4 — CID 53084237

About 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084237) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53084237
• Molecular Formula: C24H26F3N5O4
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.19
• IUPAC Name: 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CC1(C(=O)NC2CCCC2)Cn2cnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C(=O)N1C1CC1
• InChI: InChI=1S/C24H26F3N5O4/c1-23(22(35)30-14-4-2-3-5-14)12-31-13-28-18(19(31)21(34)32(23)16-8-9-16)20(33)29-15-6-10-17(11-7-15)36-24(25,26)27/h6-7,10-11,13-14,16H,2-5,8-9,12H2,1H3,(H,29,33)(H,30,35)
• InChIKey: SXUBBNXZAKZZGW-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084237) is 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CC1(C(=O)NC2CCCC2)Cn2cnc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C(=O)N1C1CC1.

What is the InChIKey of 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is SXUBBNXZAKZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-23(22(35)30-14-4-2-3-5-14)12-31-13-28-18(19(31)21(34)32(23)16-8-9-16)20(33)29-15-6-10-17(11-7-15)36-24(25,26)27/h6-7,10-11,13-14,16H,2-5,8-9,12H2,1H3,(H,29,33)(H,30,35).

What are the key properties of 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 505.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).