(4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide

C25H22FN7O3 — CID 71081012

About (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide

(4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide (PubChem CID 71081012) has the molecular formula C25H22FN7O3 and a molecular weight of 487.50 g/mol. Its IUPAC name is (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide
• PubChem CID: 71081012
• Molecular Formula: C25H22FN7O3
• Molecular Weight: 487.50 g/mol
• Exact Mass: 487.18
• IUPAC Name: (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide
• SMILES: Cc1ccc(NC(=O)N2Cc3c(cnn3C)[C@@H]2C(=O)Nc2ccc(-n3ccncc3=O)cc2F)cc1
• InChI: InChI=1S/C25H22FN7O3/c1-15-3-5-16(6-4-15)29-25(36)33-14-21-18(12-28-31(21)2)23(33)24(35)30-20-8-7-17(11-19(20)26)32-10-9-27-13-22(32)34/h3-13,23H,14H2,1-2H3,(H,29,36)(H,30,35)/t23-/m1/s1
• InChIKey: MYYDAQWADXUVDV-HSZRJFAPSA-N
• XLogP: 3.14
• TPSA: 114.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.50
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide?

The IUPAC name of (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide (CID 71081012) is (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide.

What is the SMILES notation for (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide?

The canonical SMILES for (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide is Cc1ccc(NC(=O)N2Cc3c(cnn3C)[C@@H]2C(=O)Nc2ccc(-n3ccncc3=O)cc2F)cc1.

What is the InChIKey of (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide?

The InChIKey is MYYDAQWADXUVDV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22FN7O3/c1-15-3-5-16(6-4-15)29-25(36)33-14-21-18(12-28-31(21)2)23(33)24(35)30-20-8-7-17(11-19(20)26)32-10-9-27-13-22(32)34/h3-13,23H,14H2,1-2H3,(H,29,36)(H,30,35)/t23-/m1/s1.

What are the key properties of (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide?

(4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide has a molecular weight of 487.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71081012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).