2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C23H19F2N3O2 — CID 122507194

IUPAC2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(C)COc2cc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21
InChIInChI=1S/C23H19F2N3O2/c1-23(2)11-30-19-8-12(6-7-13(19)23)27-17-9-16(20-14(24)4-3-5-15(20)25)28-18-10-26-22(29)21(17)18/h3-9H,10-11H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUKSIJJYJCSTYGJ-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.68
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 122507194) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID122507194
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(C)COc2cc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21
InChIInChI=1S/C23H19F2N3O2/c1-23(2)11-30-19-8-12(6-7-13(19)23)27-17-9-16(20-14(24)4-3-5-15(20)25)28-18-10-26-22(29)21(17)18/h3-9H,10-11H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyUKSIJJYJCSTYGJ-UHFFFAOYSA-N
XLogP4.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

2-(2,6-difluorophenyl)-4-[(2,2-dihydroxy-1,3-dihydro-2-benzothiophen-5-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507174
4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]benzaldehyde;1,4-dimethylpiperidin-4-ol;ethane
CID 144913251
2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166989018
N-[3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]phenyl]propyl]formamide
CID 144913269
2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507164
2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347794
2-(2,6-difluorophenyl)-4-[[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341755
2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347783
6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 118341436
2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166987668
2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347888
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341365

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 122507194) is 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CC1(C)COc2cc(Nc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)ccc21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UKSIJJYJCSTYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-23(2)11-30-19-8-12(6-7-13(19)23)27-17-9-16(20-14(24)4-3-5-15(20)25)28-18-10-26-22(29)21(17)18/h3-9H,10-11H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 407.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 122507194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).