2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C52H48F4N8O4 — CID 158954928

About 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 158954928) has the molecular formula C52H48F4N8O4 and a molecular weight of 925.00 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 158954928
• Molecular Formula: C52H48F4N8O4
• Molecular Weight: 925.00 g/mol
• Exact Mass: 924.37
• IUPAC Name: 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• SMILES: CN1CCCC(C)(c2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1=O.CN1CCC[C@](C)(c2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1=O
• InChI: InChI=1S/2C26H24F2N4O2/c2*1-26(9-4-10-32(2)25(26)34)16-7-8-17(29-13-16)11-15-12-20(23-18(27)5-3-6-19(23)28)31-21-14-30-24(33)22(15)21/h2*3,5-8,12-13H,4,9-11,14H2,1-2H3,(H,30,33)/t26-;/m1./s1
• InChIKey: JLWRPODMTDHWPB-UFTMZEDQSA-N
• XLogP: 7.53
• TPSA: 150.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.00
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 158954928) is 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CN1CCCC(C)(c2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1=O.CN1CCC[C@](C)(c2ccc(Cc3cc(-c4c(F)cccc4F)nc4c3C(=O)NC4)nc2)C1=O.

What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The InChIKey is JLWRPODMTDHWPB-UFTMZEDQSA-N. The full InChI is InChI=1S/2C26H24F2N4O2/c2*1-26(9-4-10-32(2)25(26)34)16-7-8-17(29-13-16)11-15-12-20(23-18(27)5-3-6-19(23)28)31-21-14-30-24(33)22(15)21/h2*3,5-8,12-13H,4,9-11,14H2,1-2H3,(H,30,33)/t26-;/m1./s1.

What are the key properties of 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 925.00 g/mol, XLogP of 7.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluorophenyl)-4-[[5-(1,3-dimethyl-2-oxopiperidin-3-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-[(3R)-1,3-dimethyl-2-oxopiperidin-3-yl]-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158954928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).