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

C24H32N4O3 — CID 135154709

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

1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one (PubChem CID 135154709) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 135154709
• Molecular Formula: C24H32N4O3
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.25
• IUPAC Name: 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one
• SMILES: COc1ccc(OC2CCN(c3nc4c(cc3C)CN(C(=O)C(C)(C)C)C4)CC2)cn1
• InChI: InChI=1S/C24H32N4O3/c1-16-12-17-14-28(23(29)24(2,3)4)15-20(17)26-22(16)27-10-8-18(9-11-27)31-19-6-7-21(30-5)25-13-19/h6-7,12-13,18H,8-11,14-15H2,1-5H3
• InChIKey: NRGCKFIWZNHOCD-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one (CID 135154709) is 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one.

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

The canonical SMILES for 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one is COc1ccc(OC2CCN(c3nc4c(cc3C)CN(C(=O)C(C)(C)C)C4)CC2)cn1.

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

The InChIKey is NRGCKFIWZNHOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16-12-17-14-28(23(29)24(2,3)4)15-20(17)26-22(16)27-10-8-18(9-11-27)31-19-6-7-21(30-5)25-13-19/h6-7,12-13,18H,8-11,14-15H2,1-5H3.

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

1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one has a molecular weight of 424.55 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 135154709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).