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

C24H22F2N4O — CID 19501586

IUPAC2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c(C)c1
InChIInChI=1S/C24H22F2N4O/c1-14-9-10-19(15(2)11-14)27-21(31)13-30-24-22(16(3)29-30)18(23(25)26)12-20(28-24)17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3,(H,27,31)
InChIKeyCWYDYDBEUKDULW-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.60
Rot. Bonds5

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

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 19501586) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID19501586
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c(C)c1
InChIInChI=1S/C24H22F2N4O/c1-14-9-10-19(15(2)11-14)27-21(31)13-30-24-22(16(3)29-30)18(23(25)26)12-20(28-24)17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3,(H,27,31)
InChIKeyCWYDYDBEUKDULW-UHFFFAOYSA-N
XLogP5.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19501638
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 19501596
N-[2-(difluoromethoxy)phenyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501739
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633
N-(2-chloro-4-nitrophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501661
N-(3,4-dichlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501628
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501643
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501625
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 19501694
N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501644

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 19501586) is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c(C)c1.
What is the InChIKey of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is CWYDYDBEUKDULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-14-9-10-19(15(2)11-14)27-21(31)13-30-24-22(16(3)29-30)18(23(25)26)12-20(28-24)17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3,(H,27,31).
What are the key properties of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 420.46 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 19501586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).