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

C26H21F5N4O2 — CID 171528436

IUPAC6-[[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
SMILESCCC(O)(c1ccc(-c2cc(F)c(CN3Cc4ncccc4C3=O)c(F)c2)c2cn(C)nc12)C(F)(F)F
InChIInChI=1S/C26H21F5N4O2/c1-3-25(37,26(29,30)31)19-7-6-15(17-11-34(2)33-23(17)19)14-9-20(27)18(21(28)10-14)12-35-13-22-16(24(35)36)5-4-8-32-22/h4-11,37H,3,12-13H2,1-2H3
InChIKeyCLEAPLORZWYYEF-UHFFFAOYSA-N
MW516.47 g/mol
LogP5.23
Rot. Bonds5

About 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

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 (PubChem CID 171528436) has the molecular formula C26H21F5N4O2 and a molecular weight of 516.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID171528436
Molecular FormulaC26H21F5N4O2
Molecular Weight516.47 g/mol
Exact Mass516.16
IUPAC Name6-[[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
SMILESCCC(O)(c1ccc(-c2cc(F)c(CN3Cc4ncccc4C3=O)c(F)c2)c2cn(C)nc12)C(F)(F)F
InChIInChI=1S/C26H21F5N4O2/c1-3-25(37,26(29,30)31)19-7-6-15(17-11-34(2)33-23(17)19)14-9-20(27)18(21(28)10-14)12-35-13-22-16(24(35)36)5-4-8-32-22/h4-11,37H,3,12-13H2,1-2H3
InChIKeyCLEAPLORZWYYEF-UHFFFAOYSA-N
XLogP5.23
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
6-[[4-(7-ethoxy-2-methylindazol-4-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615838
6-[[2,6-difluoro-4-[7-(3-hydroxyoxolan-3-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528367
CID 171528185
CID 171528185
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
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-[[2,6-difluoro-4-[2-methyl-7-(1-propan-2-ylazetidin-3-yl)oxyindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615904
6-[[2-chloro-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615886
7,7-dideuterio-6-[[2-fluoro-6-(2-methylpropoxy)-4-[2-methyl-7-(trifluoromethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760359
6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527986
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(O)(c1ccc(-c2cc(F)c(CN3Cc4ncccc4C3=O)c(F)c2)c2cn(C)nc12)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is CLEAPLORZWYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N4O2/c1-3-25(37,26(29,30)31)19-7-6-15(17-11-34(2)33-23(17)19)14-9-20(27)18(21(28)10-14)12-35-13-22-16(24(35)36)5-4-8-32-22/h4-11,37H,3,12-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 516.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171528436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).