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

C25H20N4O2S — CID 19482039

IUPAC2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c2nccc(-c3ccco3)c12
InChIInChI=1S/C25H20N4O2S/c1-17-24-19(21-11-7-15-31-21)13-14-26-25(24)29(28-17)16-23(30)27-20-10-5-6-12-22(20)32-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,30)
InChIKeyKHFITNKSJKTSID-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.79
Rot. Bonds6

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

2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 19482039) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID19482039
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC Name2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c2nccc(-c3ccco3)c12
InChIInChI=1S/C25H20N4O2S/c1-17-24-19(21-11-7-15-31-21)13-14-26-25(24)29(28-17)16-23(30)27-20-10-5-6-12-22(20)32-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,30)
InChIKeyKHFITNKSJKTSID-UHFFFAOYSA-N
XLogP5.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482009
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 19482077
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-(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-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19482204
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-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482254
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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482021
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-[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
N-(1-adamantylmethyl)-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482179

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (CID 19482039) is 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is Cc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c2nccc(-c3ccco3)c12.
What is the InChIKey of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is KHFITNKSJKTSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-17-24-19(21-11-7-15-31-21)13-14-26-25(24)29(28-17)16-23(30)27-20-10-5-6-12-22(20)32-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,30).
What are the key properties of 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 19482039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).