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

C25H26FN5O4 — CID 95072637

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

(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072637) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072637
• Molecular Formula: C25H26FN5O4
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.20
• IUPAC Name: (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)o1
• InChI: InChI=1S/C25H26FN5O4/c1-15-3-10-19(35-15)12-27-22(32)20-21-23(33)31(18-8-9-18)25(2,13-30(21)14-29-20)24(34)28-11-16-4-6-17(26)7-5-16/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,27,32)(H,28,34)/t25-/m0/s1
• InChIKey: VBSRYXDQMZTOOV-VWLOTQADSA-N
• XLogP: 2.55
• TPSA: 109.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	2.55
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-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072637) is (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-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-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)o1.

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

The InChIKey is VBSRYXDQMZTOOV-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26FN5O4/c1-15-3-10-19(35-15)12-27-22(32)20-21-23(33)31(18-8-9-18)25(2,13-30(21)14-29-20)24(34)28-11-16-4-6-17(26)7-5-16/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(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-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 479.51 g/mol, XLogP of 2.55, 7 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-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).