(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C25H26FN5O3S — CID 95072654

About (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072654) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072654
• Molecular Formula: C25H26FN5O3S
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.17
• IUPAC Name: (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCc3cccs3)c2C(=O)N1C1CC1
• InChI: InChI=1S/C25H26FN5O3S/c1-25(24(34)28-13-16-4-6-17(26)7-5-16)14-30-15-29-20(21(30)23(33)31(25)18-8-9-18)22(32)27-11-10-19-3-2-12-35-19/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,27,32)(H,28,34)/t25-/m0/s1
• InChIKey: NALQCQQMONBKJU-VWLOTQADSA-N
• XLogP: 2.75
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072654) is (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NCCc3cccs3)c2C(=O)N1C1CC1.

What is the InChIKey of (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is NALQCQQMONBKJU-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-25(24(34)28-13-16-4-6-17(26)7-5-16)14-30-15-29-20(21(30)23(33)31(25)18-8-9-18)22(32)27-11-10-19-3-2-12-35-19/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,27,32)(H,28,34)/t25-/m0/s1.

What are the key properties of (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-(2-thiophen-2-ylethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).