N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide

C24H19ClF2N4O2 — CID 19497271

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1cc(C(F)F)c2c(C)nn(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2n1
InChIInChI=1S/C24H19ClF2N4O2/c1-13-10-18(23(26)27)21-14(2)30-31(24(21)28-13)12-20(32)29-19-9-8-16(25)11-17(19)22(33)15-6-4-3-5-7-15/h3-11,23H,12H2,1-2H3,(H,29,32)
InChIKeyKUWDZGXOQAWHEB-UHFFFAOYSA-N
MW468.89 g/mol
LogP5.51
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19497271) has the molecular formula C24H19ClF2N4O2 and a molecular weight of 468.89 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID19497271
Molecular FormulaC24H19ClF2N4O2
Molecular Weight468.89 g/mol
Exact Mass468.12
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1cc(C(F)F)c2c(C)nn(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2n1
InChIInChI=1S/C24H19ClF2N4O2/c1-13-10-18(23(26)27)21-14(2)30-31(24(21)28-13)12-20(32)29-19-9-8-16(25)11-17(19)22(33)15-6-4-3-5-7-15/h3-11,23H,12H2,1-2H3,(H,29,32)
InChIKeyKUWDZGXOQAWHEB-UHFFFAOYSA-N
XLogP5.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.89
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19501638
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501625
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19497248
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19497277
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19497310
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19497489
N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 1124589
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 19501586
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19497381
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 N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19497271) is N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide is Cc1cc(C(F)F)c2c(C)nn(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2n1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is KUWDZGXOQAWHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4O2/c1-13-10-18(23(26)27)21-14(2)30-31(24(21)28-13)12-20(32)29-19-9-8-16(25)11-17(19)22(33)15-6-4-3-5-7-15/h3-11,23H,12H2,1-2H3,(H,29,32).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 468.89 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19497271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).