6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C24H20F2N4O2 — CID 171527986

IUPAC6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C([2H])(O)c1ccc(-c2cc(F)c(CN3Cc4ncccc4C3=O)c(F)c2)c2cn(CC)nc12
InChIInChI=1S/C24H20F2N4O2/c1-2-30-11-18-16(6-5-14(13-31)23(18)28-30)15-8-20(25)19(21(26)9-15)10-29-12-22-17(24(29)32)4-3-7-27-22/h3-9,11,31H,2,10,12-13H2,1H3/i13D2
InChIKeyVRYJRXRWFZAFQS-KLTYLHELSA-N
MW436.46 g/mol
LogP4.04
Rot. Bonds5

About 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 171527986) has the molecular formula C24H20F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID171527986
Molecular FormulaC24H20F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILES[2H]C([2H])(O)c1ccc(-c2cc(F)c(CN3Cc4ncccc4C3=O)c(F)c2)c2cn(CC)nc12
InChIInChI=1S/C24H20F2N4O2/c1-2-30-11-18-16(6-5-14(13-31)23(18)28-30)15-8-20(25)19(21(26)9-15)10-29-12-22-17(24(29)32)4-3-7-27-22/h3-9,11,31H,2,10,12-13H2,1H3/i13D2
InChIKeyVRYJRXRWFZAFQS-KLTYLHELSA-N
XLogP4.04
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 171527986) is 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is [2H]C([2H])(O)c1ccc(-c2cc(F)c(CN3Cc4ncccc4C3=O)c(F)c2)c2cn(CC)nc12.
What is the InChIKey of 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is VRYJRXRWFZAFQS-KLTYLHELSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-2-30-11-18-16(6-5-14(13-31)23(18)28-30)15-8-20(25)19(21(26)9-15)10-29-12-22-17(24(29)32)4-3-7-27-22/h3-9,11,31H,2,10,12-13H2,1H3/i13D2.
What are the key properties of 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 436.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[7-[dideuterio(hydroxy)methyl]-2-ethylindazol-4-yl]-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171527986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).