2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C22H25F3N4O4 — CID 129277984

About 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one

2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277984) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 129277984
• Molecular Formula: C22H25F3N4O4
• Molecular Weight: 466.46 g/mol
• Exact Mass: 466.18
• IUPAC Name: 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C[C@H](O)C(F)(F)F)C4)CC2)cn1
• InChI: InChI=1S/C22H25F3N4O4/c1-13-9-16-17(11-29(21(16)31)12-18(30)22(23,24)25)27-20(13)28-7-5-14(6-8-28)33-15-3-4-19(32-2)26-10-15/h3-4,9-10,14,18,30H,5-8,11-12H2,1-2H3/t18-/m0/s1
• InChIKey: GWTOLXOFOFHFGD-SFHVURJKSA-N
• XLogP: 2.72
• TPSA: 88.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.46
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 129277984) is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)N(C[C@H](O)C(F)(F)F)C4)CC2)cn1.

What is the InChIKey of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is GWTOLXOFOFHFGD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c1-13-9-16-17(11-29(21(16)31)12-18(30)22(23,24)25)27-20(13)28-7-5-14(6-8-28)33-15-3-4-19(32-2)26-10-15/h3-4,9-10,14,18,30H,5-8,11-12H2,1-2H3/t18-/m0/s1.

What are the key properties of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 466.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).