6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C22H24N4O2 — CID 171528460

IUPAC6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cn(C)nc2C(C)(C)O)ccc1CN1Cc2ncccc2C1=O
InChIInChI=1S/C22H24N4O2/c1-14-10-15(18-12-25(4)24-20(18)22(2,3)28)7-8-16(14)11-26-13-19-17(21(26)27)6-5-9-23-19/h5-10,12,28H,11,13H2,1-4H3
InChIKeyYRTZYSRRUMGGLZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.17
Rot. Bonds4

About 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 171528460) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID171528460
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(-c2cn(C)nc2C(C)(C)O)ccc1CN1Cc2ncccc2C1=O
InChIInChI=1S/C22H24N4O2/c1-14-10-15(18-12-25(4)24-20(18)22(2,3)28)7-8-16(14)11-26-13-19-17(21(26)27)6-5-9-23-19/h5-10,12,28H,11,13H2,1-4H3
InChIKeyYRTZYSRRUMGGLZ-UHFFFAOYSA-N
XLogP3.17
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(2,6-dimethylindazol-5-yl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615779
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
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-5-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760527
6-[[2-chloro-6-fluoro-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528252
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760346
6-[[2-chloro-6-cyclopropyl-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528410
6-[[4-[3-amino-2-hydrazinyl-5-(2-hydroxypropan-2-yl)phenyl]-2-fluoro-6-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528448
6-[[2-fluoro-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]-6-methoxyphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528417
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
6-[[2-fluoro-4-[2-methyl-7-(2-propan-2-yloxyethoxy)indazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615880
6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615881

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 171528460) is 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc(-c2cn(C)nc2C(C)(C)O)ccc1CN1Cc2ncccc2C1=O.
What is the InChIKey of 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YRTZYSRRUMGGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-10-15(18-12-25(4)24-20(18)22(2,3)28)7-8-16(14)11-26-13-19-17(21(26)27)6-5-9-23-19/h5-10,12,28H,11,13H2,1-4H3.
What are the key properties of 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 376.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171528460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).