6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C23H24F5N5O3 — CID 53084021

About 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084021) has the molecular formula C23H24F5N5O3 and a molecular weight of 513.47 g/mol. Its IUPAC name is 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53084021
• Molecular Formula: C23H24F5N5O3
• Molecular Weight: 513.47 g/mol
• Exact Mass: 513.18
• IUPAC Name: 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)ncn2CC1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C23H24F5N5O3/c1-3-8-33-21(35)19-18(20(34)31-17-15(27)13(25)12(24)14(26)16(17)28)29-10-32(19)9-23(33,2)22(36)30-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,30,36)(H,31,34)
• InChIKey: GDPAHUYPKAZRIU-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.47
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084021) is 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)ncn2CC1(C)C(=O)NC1CCCC1.

What is the InChIKey of 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is GDPAHUYPKAZRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N5O3/c1-3-8-33-21(35)19-18(20(34)31-17-15(27)13(25)12(24)14(26)16(17)28)29-10-32(19)9-23(33,2)22(36)30-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,30,36)(H,31,34).

What are the key properties of 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 513.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclopentyl-6-methyl-8-oxo-1-N-(2,3,4,5,6-pentafluorophenyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).