(7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C₄₀H₄₈N₈O₈ — CID 158875242

About (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

(7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 158875242) has the molecular formula C₄₀H₄₈N₈O₈ and a molecular weight of 768.87 g/mol. Its IUPAC name is (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 158875242
• Molecular Formula: C₄₀H₄₈N₈O₈
• Molecular Weight: 768.87 g/mol
• Exact Mass: 768.36
• IUPAC Name: (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• SMILES: COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@@H]4CO)CC2)cn1.COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@H]4CO)CC2)cn1
• InChI: InChI=1S/2C20H24N4O4/c2*1-12-9-15-18(16(11-25)22-20(15)26)23-19(12)24-7-5-13(6-8-24)28-14-3-4-17(27-2)21-10-14/h2*3-4,9-10,13,16,25H,5-8,11H2,1-2H3,(H,22,26)/t2*16-/m10/s1
• InChIKey: JCIUEQWREQZZSU-RRHAQCGESA-N
• XLogP: 3.24
• TPSA: 193.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.87
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 158875242) is (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@@H]4CO)CC2)cn1.COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N[C@H]4CO)CC2)cn1.

What is the InChIKey of (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The InChIKey is JCIUEQWREQZZSU-RRHAQCGESA-N. The full InChI is InChI=1S/2C20H24N4O4/c2*1-12-9-15-18(16(11-25)22-20(15)26)23-19(12)24-7-5-13(6-8-24)28-14-3-4-17(27-2)21-10-14/h2*3-4,9-10,13,16,25H,5-8,11H2,1-2H3,(H,22,26)/t2*16-/m10/s1.

What are the key properties of (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

(7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 768.87 g/mol, XLogP of 3.24, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;(7S)-7-(hydroxymethyl)-2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158875242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158875242 — identifiers, structure, computed properties (public domain)

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