N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide

C23H18F4N4O2 — CID 19501739

About N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide

N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19501739) has the molecular formula C23H18F4N4O2 and a molecular weight of 458.42 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
• PubChem CID: 19501739
• Molecular Formula: C23H18F4N4O2
• Molecular Weight: 458.42 g/mol
• Exact Mass: 458.14
• IUPAC Name: N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
• SMILES: Cc1nn(CC(=O)Nc2ccccc2OC(F)F)c2nc(-c3ccccc3)cc(C(F)F)c12
• InChI: InChI=1S/C23H18F4N4O2/c1-13-20-15(21(24)25)11-17(14-7-3-2-4-8-14)29-22(20)31(30-13)12-19(32)28-16-9-5-6-10-18(16)33-23(26)27/h2-11,21,23H,12H2,1H3,(H,28,32)
• InChIKey: JJGTVKNEALJZHD-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.42
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19501739) is N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccccc2OC(F)F)c2nc(-c3ccccc3)cc(C(F)F)c12.

What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

The InChIKey is JJGTVKNEALJZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2/c1-13-20-15(21(24)25)11-17(14-7-3-2-4-8-14)29-22(20)31(30-13)12-19(32)28-16-9-5-6-10-18(16)33-23(26)27/h2-11,21,23H,12H2,1H3,(H,28,32).

What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 458.42 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19501739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).