5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C26H28N6O2 — CID 11562287

About 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11562287) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 11562287
• Molecular Formula: C26H28N6O2
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.23
• IUPAC Name: 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: CN1CCN(CCOc2ccc(-c3cnc4[nH]cc(C(=O)Nc5cccnc5)c4c3)cc2)CC1
• InChI: InChI=1S/C26H28N6O2/c1-31-9-11-32(12-10-31)13-14-34-22-6-4-19(5-7-22)20-15-23-24(18-29-25(23)28-16-20)26(33)30-21-3-2-8-27-17-21/h2-8,15-18H,9-14H2,1H3,(H,28,29)(H,30,33)
• InChIKey: PIFWMSYZSPILFZ-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11562287) is 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CN1CCN(CCOc2ccc(-c3cnc4[nH]cc(C(=O)Nc5cccnc5)c4c3)cc2)CC1.

What is the InChIKey of 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is PIFWMSYZSPILFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-31-9-11-32(12-10-31)13-14-34-22-6-4-19(5-7-22)20-15-23-24(18-29-25(23)28-16-20)26(33)30-21-3-2-8-27-17-21/h2-8,15-18H,9-14H2,1H3,(H,28,29)(H,30,33).

What are the key properties of 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11562287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).