N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

C21H20N4O2 — CID 19482009

IUPACN-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3c(-c4ccco4)ccnc32)c(C)c1
InChIInChI=1S/C21H20N4O2/c1-13-6-7-17(14(2)11-13)23-19(26)12-25-21-20(15(3)24-25)16(8-9-22-21)18-5-4-10-27-18/h4-11H,12H2,1-3H3,(H,23,26)
InChIKeyDGRIHPQCOWMHPJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.26
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19482009) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID19482009
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3c(-c4ccco4)ccnc32)c(C)c1
InChIInChI=1S/C21H20N4O2/c1-13-6-7-17(14(2)11-13)23-19(26)12-25-21-20(15(3)24-25)16(8-9-22-21)18-5-4-10-27-18/h4-11H,12H2,1-3H3,(H,23,26)
InChIKeyDGRIHPQCOWMHPJ-UHFFFAOYSA-N
XLogP4.26
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 19482077
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 19482039
N-(2,6-dibromo-4-fluorophenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482057
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19482266
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482027
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482021
N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482184
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482254
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482182
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482110
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482227
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482232

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19482009) is N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2nc(C)c3c(-c4ccco4)ccnc32)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is DGRIHPQCOWMHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-6-7-17(14(2)11-13)23-19(26)12-25-21-20(15(3)24-25)16(8-9-22-21)18-5-4-10-27-18/h4-11H,12H2,1-3H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19482009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).