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

C23H27N5O3 — CID 129277639

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

2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277639) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 129277639
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
• SMILES: Cc1cc2c(nc1N1CCC(Oc3ccc4c(c3)c(C)nn4CCO)CC1)CNC2=O
• InChI: InChI=1S/C23H27N5O3/c1-14-11-19-20(13-24-23(19)30)25-22(14)27-7-5-16(6-8-27)31-17-3-4-21-18(12-17)15(2)26-28(21)9-10-29/h3-4,11-12,16,29H,5-10,13H2,1-2H3,(H,24,30)
• InChIKey: IHLRCIJPQODQLF-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 92.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277639) is 2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

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

The canonical SMILES for 2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3ccc4c(c3)c(C)nn4CCO)CC1)CNC2=O.

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

The InChIKey is IHLRCIJPQODQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-11-19-20(13-24-23(19)30)25-22(14)27-7-5-16(6-8-27)31-17-3-4-21-18(12-17)15(2)26-28(21)9-10-29/h3-4,11-12,16,29H,5-10,13H2,1-2H3,(H,24,30).

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

2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 421.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).