(6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide

C19H20F2N6O2 — CID 137452703

About (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide

(6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 137452703) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
• PubChem CID: 137452703
• Molecular Formula: C19H20F2N6O2
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.16
• IUPAC Name: (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
• SMILES: C[C@H](CF)NC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2
• InChI: InChI=1S/C19H20F2N6O2/c1-11(6-20)24-18(28)17-16-9-27(12(2)8-26(16)10-23-17)19(29)25-14-3-4-15(21)13(5-14)7-22/h3-5,10-12H,6,8-9H2,1-2H3,(H,24,28)(H,25,29)/t11-,12+/m1/s1
• InChIKey: COOCXOUDAXEZKH-NEPJUHHUSA-N
• XLogP: 2.42
• TPSA: 103.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.41
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?

The IUPAC name of (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 137452703) is (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.

What is the SMILES notation for (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?

The canonical SMILES for (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is C[C@H](CF)NC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)C2.

What is the InChIKey of (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?

The InChIKey is COOCXOUDAXEZKH-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-11(6-20)24-18(28)17-16-9-27(12(2)8-26(16)10-23-17)19(29)25-14-3-4-15(21)13(5-14)7-22/h3-5,10-12H,6,8-9H2,1-2H3,(H,24,28)(H,25,29)/t11-,12+/m1/s1.

What are the key properties of (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?

(6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-N-(3-cyano-4-fluorophenyl)-1-N-[(2R)-1-fluoropropan-2-yl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 137452703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).