4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile

C26H20FN5O — CID 155022976

IUPAC4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile
SMILESCc1cc(-c2ccn(Cc3ccc(CN4Cc5ncccc5C4=O)c(F)c3)n2)ccc1C#N
InChIInChI=1S/C26H20FN5O/c1-17-11-19(6-7-20(17)13-28)24-8-10-32(30-24)14-18-4-5-21(23(27)12-18)15-31-16-25-22(26(31)33)3-2-9-29-25/h2-12H,14-16H2,1H3
InChIKeyIYSOMHAMMFKRSH-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.47
Rot. Bonds5

About 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile

4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile (PubChem CID 155022976) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile
PubChem CID155022976
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile
SMILESCc1cc(-c2ccn(Cc3ccc(CN4Cc5ncccc5C4=O)c(F)c3)n2)ccc1C#N
InChIInChI=1S/C26H20FN5O/c1-17-11-19(6-7-20(17)13-28)24-8-10-32(30-24)14-18-4-5-21(23(27)12-18)15-31-16-25-22(26(31)33)3-2-9-29-25/h2-12H,14-16H2,1H3
InChIKeyIYSOMHAMMFKRSH-UHFFFAOYSA-N
XLogP4.47
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile with MolForge

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Related Compounds

6-[[2-fluoro-4-[[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]methyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158113843
6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615779
6-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555144
6-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 146949330
4-[1-[(2S)-2-(1,3-dioxoisoindol-2-yl)propyl]pyrazol-3-yl]-2-methylbenzonitrile
CID 70657327
6-[[2,5-difluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528493
6-[[2-fluoro-4-[6-(2-hydroxypropan-2-yl)-2H-benzotriazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528197
6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528460
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760527
6-[[2,6-difluoro-4-(2-methylpyrazolo[1,5-a]pyridin-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 166076683
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760346
6-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555067

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile?
The IUPAC name of 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile (CID 155022976) is 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile?
The canonical SMILES for 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile is Cc1cc(-c2ccn(Cc3ccc(CN4Cc5ncccc5C4=O)c(F)c3)n2)ccc1C#N.
What is the InChIKey of 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile?
The InChIKey is IYSOMHAMMFKRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-17-11-19(6-7-20(17)13-28)24-8-10-32(30-24)14-18-4-5-21(23(27)12-18)15-31-16-25-22(26(31)33)3-2-9-29-25/h2-12H,14-16H2,1H3.
What are the key properties of 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile?
4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile has a molecular weight of 437.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-fluoro-4-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]phenyl]methyl]pyrazol-3-yl]-2-methylbenzonitrile is sourced from PubChem (CID 155022976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).