N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

C23H19ClF2N4O2 — CID 19481818

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1cccc(-c2ccnc3c2c(C)nn3CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C23H19ClF2N4O2/c1-13-4-3-5-15(10-13)17-8-9-27-22-21(17)14(2)29-30(22)12-20(31)28-16-6-7-19(18(24)11-16)32-23(25)26/h3-11,23H,12H2,1-2H3,(H,28,31)
InChIKeyUUFHUSZHQKQKMC-UHFFFAOYSA-N
MW456.88 g/mol
LogP5.61
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19481818) has the molecular formula C23H19ClF2N4O2 and a molecular weight of 456.88 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID19481818
Molecular FormulaC23H19ClF2N4O2
Molecular Weight456.88 g/mol
Exact Mass456.12
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1cccc(-c2ccnc3c2c(C)nn3CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C23H19ClF2N4O2/c1-13-4-3-5-15(10-13)17-8-9-27-22-21(17)14(2)29-30(22)12-20(31)28-16-6-7-19(18(24)11-16)32-23(25)26/h3-11,23H,12H2,1-2H3,(H,28,31)
InChIKeyUUFHUSZHQKQKMC-UHFFFAOYSA-N
XLogP5.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.88
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19470323
N-(3,5-dimethylphenyl)-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19470273
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487512
2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19470281
N-(2-chloro-5-nitrophenyl)-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19481785
N-[4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19481970
2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 19487510
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19470322
N-(3-methylphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470053
N-(3-chloro-4-methoxyphenyl)-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487232
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519176

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19481818) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is Cc1cccc(-c2ccnc3c2c(C)nn3CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is UUFHUSZHQKQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O2/c1-13-4-3-5-15(10-13)17-8-9-27-22-21(17)14(2)29-30(22)12-20(31)28-16-6-7-19(18(24)11-16)32-23(25)26/h3-11,23H,12H2,1-2H3,(H,28,31).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 456.88 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19481818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).