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

C22H19F2N5O — CID 19501596

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

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 19501596) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
• PubChem CID: 19501596
• Molecular Formula: C22H19F2N5O
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.16
• IUPAC Name: 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
• SMILES: Cc1ccnc(NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c1
• InChI: InChI=1S/C22H19F2N5O/c1-13-8-9-25-18(10-13)27-19(30)12-29-22-20(14(2)28-29)16(21(23)24)11-17(26-22)15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3,(H,25,27,30)
• InChIKey: GQLKHHBZBWQKIP-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide (CID 19501596) is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide.

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

The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c1.

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

The InChIKey is GQLKHHBZBWQKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-13-8-9-25-18(10-13)27-19(30)12-29-22-20(14(2)28-29)16(21(23)24)11-17(26-22)15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3,(H,25,27,30).

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

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 407.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 19501596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).