5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one

C22H18F2N4O — CID 146216747

IUPAC5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one
SMILESCc1[nH]cc2c1C(=O)N(Cc1c(F)cc(-c3cccc4nn(C)cc34)cc1F)C2
InChIInChI=1S/C22H18F2N4O/c1-12-21-14(8-25-12)9-28(22(21)29)11-17-18(23)6-13(7-19(17)24)15-4-3-5-20-16(15)10-27(2)26-20/h3-8,10,25H,9,11H2,1-2H3
InChIKeyMMXKDYWWEFJYBE-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.31
Rot. Bonds3

About 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one

5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one (PubChem CID 146216747) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one
PubChem CID146216747
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one
SMILESCc1[nH]cc2c1C(=O)N(Cc1c(F)cc(-c3cccc4nn(C)cc34)cc1F)C2
InChIInChI=1S/C22H18F2N4O/c1-12-21-14(8-25-12)9-28(22(21)29)11-17-18(23)6-13(7-19(17)24)15-4-3-5-20-16(15)10-27(2)26-20/h3-8,10,25H,9,11H2,1-2H3
InChIKeyMMXKDYWWEFJYBE-UHFFFAOYSA-N
XLogP4.31
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one (CID 146216747) is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one is Cc1[nH]cc2c1C(=O)N(Cc1c(F)cc(-c3cccc4nn(C)cc34)cc1F)C2.
What is the InChIKey of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is MMXKDYWWEFJYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-12-21-14(8-25-12)9-28(22(21)29)11-17-18(23)6-13(7-19(17)24)15-4-3-5-20-16(15)10-27(2)26-20/h3-8,10,25H,9,11H2,1-2H3.
What are the key properties of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one?
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 392.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-methyl-2,6-dihydropyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 146216747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).