5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one

C22H18F2N4O — CID 146216705

IUPAC5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one
SMILESCn1cc2c(-c3cc(F)c(CN4Cc5ccn(C)c5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C22H18F2N4O/c1-26-7-6-13-10-28(22(29)21(13)26)12-17-18(23)8-14(9-19(17)24)15-4-3-5-20-16(15)11-27(2)25-20/h3-9,11H,10,12H2,1-2H3
InChIKeyBASYERWPSZVLPW-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.01
Rot. Bonds3

About 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one

5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one (PubChem CID 146216705) 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]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one.

Molecular Properties

Compound Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one
PubChem CID146216705
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one
SMILESCn1cc2c(-c3cc(F)c(CN4Cc5ccn(C)c5C4=O)c(F)c3)cccc2n1
InChIInChI=1S/C22H18F2N4O/c1-26-7-6-13-10-28(22(29)21(13)26)12-17-18(23)8-14(9-19(17)24)15-4-3-5-20-16(15)11-27(2)25-20/h3-9,11H,10,12H2,1-2H3
InChIKeyBASYERWPSZVLPW-UHFFFAOYSA-N
XLogP4.01
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-chloro-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615886
6-[[2-cyclopropyl-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615729
1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
CID 86298474
6-[[4-(7-ethoxy-2-methylindazol-4-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615838
CID 171528185
CID 171528185
6-[[2,6-difluoro-4-[2-methyl-7-(1,1,1-trifluoro-2-hydroxybutan-2-yl)indazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528436
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 162772136
7,7-dideuterio-6-[[4-(2,6-dimethylindazol-5-yl)-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760594
6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-5-oxopyrido[3,4-b]pyrazine-8-carboxamide
CID 162772274
6-[[2,6-difluoro-4-[7-[(2S)-1-methoxypropan-2-yl]oxy-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615895
7,7-dideuterio-6-[[2,6-dichloro-4-[2-(trideuteriomethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760391
6-[[2-(azetidin-1-yl)-6-fluoro-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528244

Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one?
The IUPAC name of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one (CID 146216705) is 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one.
What is the SMILES notation for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one?
The canonical SMILES for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one is Cn1cc2c(-c3cc(F)c(CN4Cc5ccn(C)c5C4=O)c(F)c3)cccc2n1.
What is the InChIKey of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one?
The InChIKey is BASYERWPSZVLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-26-7-6-13-10-28(22(29)21(13)26)12-17-18(23)8-14(9-19(17)24)15-4-3-5-20-16(15)11-27(2)25-20/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one?
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one has a molecular weight of 392.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-methyl-4H-pyrrolo[3,4-b]pyrrol-6-one is sourced from PubChem (CID 146216705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).