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

C26H28N4O2 — CID 94080313

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

2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 94080313) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
• PubChem CID: 94080313
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
• SMILES: CCc1cc(OCC(=O)N[C@@H](C)c2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1
• InChI: InChI=1S/C26H28N4O2/c1-5-20-15-24(32-16-23(31)27-18(3)21-9-7-6-8-10-21)28-26-25(20)19(4)29-30(26)22-13-11-17(2)12-14-22/h6-15,18H,5,16H2,1-4H3,(H,27,31)/t18-/m0/s1
• InChIKey: NGAWOGQWDPOJBW-SFHVURJKSA-N
• XLogP: 4.86
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide (CID 94080313) is 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide.

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

The canonical SMILES for 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide is CCc1cc(OCC(=O)N[C@@H](C)c2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1.

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

The InChIKey is NGAWOGQWDPOJBW-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-5-20-15-24(32-16-23(31)27-18(3)21-9-7-6-8-10-21)28-26-25(20)19(4)29-30(26)22-13-11-17(2)12-14-22/h6-15,18H,5,16H2,1-4H3,(H,27,31)/t18-/m0/s1.

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

2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 428.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 94080313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).