3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C17H21N5O2 — CID 129278259

About 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129278259) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 129278259
• Molecular Formula: C17H21N5O2
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.17
• IUPAC Name: 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• SMILES: Cc1cc2c(nc1N1CCC(Oc3cnn(C)c3)CC1)CNC2=O
• InChI: InChI=1S/C17H21N5O2/c1-11-7-14-15(9-18-17(14)23)20-16(11)22-5-3-12(4-6-22)24-13-8-19-21(2)10-13/h7-8,10,12H,3-6,9H2,1-2H3,(H,18,23)
• InChIKey: YJPZBVGUAFYFGN-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129278259) is 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3cnn(C)c3)CC1)CNC2=O.

What is the InChIKey of 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

The InChIKey is YJPZBVGUAFYFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-7-14-15(9-18-17(14)23)20-16(11)22-5-3-12(4-6-22)24-13-8-19-21(2)10-13/h7-8,10,12H,3-6,9H2,1-2H3,(H,18,23).

What are the key properties of 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?

3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 327.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129278259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).