6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one

C27H30ClN7O2 — CID 90015605

About 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one

6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 90015605) has the molecular formula C27H30ClN7O2 and a molecular weight of 520.04 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
• PubChem CID: 90015605
• Molecular Formula: C27H30ClN7O2
• Molecular Weight: 520.04 g/mol
• Exact Mass: 519.21
• IUPAC Name: 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
• SMILES: COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(C)nn1C)C2=O
• InChI: InChI=1S/C27H30ClN7O2/c1-15(2)34-21(20-14-29-27(32(4)5)30-25(20)37-7)13-19-24(34)23(17-8-10-18(28)11-9-17)35(26(19)36)22-12-16(3)31-33(22)6/h8-15,23H,1-7H3
• InChIKey: PEACFZXEMOIJCG-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 81.31 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.04
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?

The IUPAC name of 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 90015605) is 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one.

What is the SMILES notation for 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?

The canonical SMILES for 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one is COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(C)nn1C)C2=O.

What is the InChIKey of 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?

The InChIKey is PEACFZXEMOIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN7O2/c1-15(2)34-21(20-14-29-27(32(4)5)30-25(20)37-7)13-19-24(34)23(17-8-10-18(28)11-9-17)35(26(19)36)22-12-16(3)31-33(22)6/h8-15,23H,1-7H3.

What are the key properties of 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one?

6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 520.04 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-5-(2,5-dimethylpyrazol-3-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 90015605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).