N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C25H26N6O3 — CID 145112189

About N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 145112189) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 145112189
• Molecular Formula: C25H26N6O3
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.21
• IUPAC Name: N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cc(N4CCC(O)CC4)cnc23)nc1
• InChI: InChI=1S/C25H26N6O3/c1-15(32)29-22-11-16(5-8-26-22)24-23(20-4-3-19(34-2)14-27-20)25-21(30-24)12-17(13-28-25)31-9-6-18(33)7-10-31/h3-5,8,11-14,18,30,33H,6-7,9-10H2,1-2H3,(H,26,29,32)
• InChIKey: PWNOLOVRPXWKOL-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 116.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 145112189) is N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cc(N4CCC(O)CC4)cnc23)nc1.

What is the InChIKey of N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is PWNOLOVRPXWKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-15(32)29-22-11-16(5-8-26-22)24-23(20-4-3-19(34-2)14-27-20)25-21(30-24)12-17(13-28-25)31-9-6-18(33)7-10-31/h3-5,8,11-14,18,30,33H,6-7,9-10H2,1-2H3,(H,26,29,32).

What are the key properties of N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 145112189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).