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

C20H25N5O3 — CID 129277628

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

2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277628) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 129277628
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• SMILES: Cc1cc2c(nc1N1CCC(Oc3ccc(NCCO)nc3)CC1)CNC2=O
• InChI: InChI=1S/C20H25N5O3/c1-13-10-16-17(12-23-20(16)27)24-19(13)25-7-4-14(5-8-25)28-15-2-3-18(22-11-15)21-6-9-26/h2-3,10-11,14,26H,4-9,12H2,1H3,(H,21,22)(H,23,27)
• InChIKey: MMXPRTMGUDPGGG-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 99.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277628) is 2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

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

The canonical SMILES for 2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3ccc(NCCO)nc3)CC1)CNC2=O.

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

The InChIKey is MMXPRTMGUDPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-10-16-17(12-23-20(16)27)24-19(13)25-7-4-14(5-8-25)28-15-2-3-18(22-11-15)21-6-9-26/h2-3,10-11,14,26H,4-9,12H2,1H3,(H,21,22)(H,23,27).

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

2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 383.45 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).