N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C25H24F2N4O2 — CID 50796138

IUPACN-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C25H24F2N4O2/c1-4-33-25-19(11-13-22(32)28-17-10-12-20(26)21(27)14-17)15(2)23-16(3)30-31(24(23)29-25)18-8-6-5-7-9-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,28,32)
InChIKeyYVOYHPZTCDFMGE-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.29
Rot. Bonds7

About N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 50796138) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID50796138
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC NameN-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C25H24F2N4O2/c1-4-33-25-19(11-13-22(32)28-17-10-12-20(26)21(27)14-17)15(2)23-16(3)30-31(24(23)29-25)18-8-6-5-7-9-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,28,32)
InChIKeyYVOYHPZTCDFMGE-UHFFFAOYSA-N
XLogP5.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
CID 50796168
3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(3-methylphenyl)propanamide
CID 50796339
methyl 4-[3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanoylamino]benzoate
CID 50796355
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
CID 50796213
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methoxyphenyl)propanamide
CID 50796406
3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 50796331
N-cyclohexyl-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796215
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-(3,4-difluorophenyl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961278
3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(2-methoxyphenyl)propanamide
CID 50796096

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 50796138) is N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is YVOYHPZTCDFMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-4-33-25-19(11-13-22(32)28-17-10-12-20(26)21(27)14-17)15(2)23-16(3)30-31(24(23)29-25)18-8-6-5-7-9-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,28,32).
What are the key properties of N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 450.49 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 50796138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).