2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide

C25H27N5O2 — CID 67209639

About 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide

2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 67209639) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide
• PubChem CID: 67209639
• Molecular Formula: C25H27N5O2
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.22
• IUPAC Name: 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide
• SMILES: Cc1ccc(C(C)NC(=O)COc2cc(C)c3c(-c4cccc(C)n4)nn(C)c3n2)cc1
• InChI: InChI=1S/C25H27N5O2/c1-15-9-11-19(12-10-15)18(4)27-21(31)14-32-22-13-16(2)23-24(29-30(5)25(23)28-22)20-8-6-7-17(3)26-20/h6-13,18H,14H2,1-5H3,(H,27,31)
• InChIKey: IXELEINLWUAFSZ-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide?

The IUPAC name of 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide (CID 67209639) is 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)COc2cc(C)c3c(-c4cccc(C)n4)nn(C)c3n2)cc1.

What is the InChIKey of 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide?

The InChIKey is IXELEINLWUAFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-9-11-19(12-10-15)18(4)27-21(31)14-32-22-13-16(2)23-24(29-30(5)25(23)28-22)20-8-6-7-17(3)26-20/h6-13,18H,14H2,1-5H3,(H,27,31).

What are the key properties of 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide?

2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 67209639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).