3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide

C26H26F2N4O2 — CID 50796331

IUPAC3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C26H26F2N4O2/c1-5-34-26-21(10-12-23(33)29-22-11-9-19(28)13-15(22)2)16(3)24-17(4)31-32(25(24)30-26)20-8-6-7-18(27)14-20/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,29,33)
InChIKeyFUDPFPSGBMAWRW-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.59
Rot. Bonds7

About 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide

3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 50796331) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID50796331
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C26H26F2N4O2/c1-5-34-26-21(10-12-23(33)29-22-11-9-19(28)13-15(22)2)16(3)24-17(4)31-32(25(24)30-26)20-8-6-7-18(27)14-20/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,29,33)
InChIKeyFUDPFPSGBMAWRW-UHFFFAOYSA-N
XLogP5.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796043
3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(3-methylphenyl)propanamide
CID 50796339
3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
CID 50796263
methyl 4-[3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanoylamino]benzoate
CID 50796355
N-(4-fluoro-2-methylphenyl)-3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796437
3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(2-methoxyphenyl)propanamide
CID 50796096
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
CID 50796168
N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796138
N-(4-fluoro-2-methylphenyl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791258
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
CID 50796213
N-cyclohexyl-3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796244
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208

Frequently Asked Questions

What is the IUPAC name of 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide (CID 50796331) is 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide is CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is FUDPFPSGBMAWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-5-34-26-21(10-12-23(33)29-22-11-9-19(28)13-15(22)2)16(3)24-17(4)31-32(25(24)30-26)20-8-6-7-18(27)14-20/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,29,33).
What are the key properties of 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 464.52 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 50796331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).