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

C24H20F2N2O2 — CID 140736288

IUPAC2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(C)Cc2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2O1
InChIInChI=1S/C24H20F2N2O2/c1-24(2)11-14-7-6-13(9-20(14)30-24)8-15-10-18(22-16(25)4-3-5-17(22)26)28-19-12-27-23(29)21(15)19/h3-7,9-10H,8,11-12H2,1-2H3,(H,27,29)
InChIKeyBNFYFULLAHHIGZ-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.57
Rot. Bonds3

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

2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 140736288) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID140736288
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC1(C)Cc2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2O1
InChIInChI=1S/C24H20F2N2O2/c1-24(2)11-14-7-6-13(9-20(14)30-24)8-15-10-18(22-16(25)4-3-5-17(22)26)28-19-12-27-23(29)21(15)19/h3-7,9-10H,8,11-12H2,1-2H3,(H,27,29)
InChIKeyBNFYFULLAHHIGZ-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(2,6-difluorophenyl)-4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 140736338
2-(2,6-difluorophenyl)-4-[(4-fluorophenyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 146919244
2-(2,6-difluorophenyl)-4-[[5-(2-oxopropyl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 159404659
2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]methyl]phenyl]-N-ethyl-2-methylpropanamide
CID 140736358
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
2-(2,6-difluorophenyl)-4-[[5-[(3S)-3-methylmorpholin-4-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 159802557
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
2-(2,6-difluorophenyl)-4-[[5-[4-(2-fluoropropyl)piperazin-1-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 157198209
2-(2-chloro-6-fluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 162239865
(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
CID 82599528
N-[3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]phenyl]propyl]formamide
CID 144913269
(2S)-2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 140736319

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 140736288) is 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CC1(C)Cc2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2O1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BNFYFULLAHHIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-24(2)11-14-7-6-13(9-20(14)30-24)8-15-10-18(22-16(25)4-3-5-17(22)26)28-19-12-27-23(29)21(15)19/h3-7,9-10H,8,11-12H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 406.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-6-yl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 140736288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).