(6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

C24H27FN4O4 — CID 163235653

About (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

(6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 163235653) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

• Compound Name: (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
• PubChem CID: 163235653
• Molecular Formula: C24H27FN4O4
• Molecular Weight: 454.50 g/mol
• Exact Mass: 454.20
• IUPAC Name: (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
• SMILES: COc1c(F)cccc1Nc1c(-c2ccncc2OCC(C)(C)OC)[nH]c2c1C(=O)N[C@@H]2C
• InChI: InChI=1S/C24H27FN4O4/c1-13-19-18(23(30)27-13)21(28-16-8-6-7-15(25)22(16)31-4)20(29-19)14-9-10-26-11-17(14)33-12-24(2,3)32-5/h6-11,13,28-29H,12H2,1-5H3,(H,27,30)/t13-/m1/s1
• InChIKey: CAOWNYCBUILWCY-CYBMUJFWSA-N
• XLogP: 4.58
• TPSA: 97.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.50
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

The IUPAC name of (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (CID 163235653) is (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

What is the SMILES notation for (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

The canonical SMILES for (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is COc1c(F)cccc1Nc1c(-c2ccncc2OCC(C)(C)OC)[nH]c2c1C(=O)N[C@@H]2C.

What is the InChIKey of (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

The InChIKey is CAOWNYCBUILWCY-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-13-19-18(23(30)27-13)21(28-16-8-6-7-15(25)22(16)31-4)20(29-19)14-9-10-26-11-17(14)33-12-24(2,3)32-5/h6-11,13,28-29H,12H2,1-5H3,(H,27,30)/t13-/m1/s1.

What are the key properties of (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

(6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 454.50 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-3-(3-fluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 163235653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).