N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C20H15F3N4O2S — CID 19470198

IUPACN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2OC(F)F)c2nccc(-c3cccs3)c12
InChIInChI=1S/C20H15F3N4O2S/c1-11-18-13(16-3-2-8-30-16)6-7-24-19(18)27(26-11)10-17(28)25-14-5-4-12(21)9-15(14)29-20(22)23/h2-9,20H,10H2,1H3,(H,25,28)
InChIKeyPSQKXTFECBPBCS-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.85
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 19470198) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID19470198
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC NameN-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2OC(F)F)c2nccc(-c3cccs3)c12
InChIInChI=1S/C20H15F3N4O2S/c1-11-18-13(16-3-2-8-30-16)6-7-24-19(18)27(26-11)10-17(28)25-14-5-4-12(21)9-15(14)29-20(22)23/h2-9,20H,10H2,1H3,(H,25,28)
InChIKeyPSQKXTFECBPBCS-UHFFFAOYSA-N
XLogP4.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470056
N-(2-methoxy-4-nitrophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470018
N-(3,5-dichlorophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19469924
N-(1-ethyl-3-methylpyrazol-4-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470239
N-(3-methylphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470053
N-(2,6-dichlorophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19469970
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470012
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
CID 19499396
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470185
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470120
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
methyl 2-[[2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19469992

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 19470198) is N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2OC(F)F)c2nccc(-c3cccs3)c12.
What is the InChIKey of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is PSQKXTFECBPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c1-11-18-13(16-3-2-8-30-16)6-7-24-19(18)27(26-11)10-17(28)25-14-5-4-12(21)9-15(14)29-20(22)23/h2-9,20H,10H2,1H3,(H,25,28).
What are the key properties of N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 432.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 19470198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).