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

C25H25FN4O2 — CID 50796263

IUPAC3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
SMILESCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccccc1C
InChIInChI=1S/C25H25FN4O2/c1-15-8-5-6-11-21(15)27-22(31)13-12-20-16(2)23-17(3)29-30(24(23)28-25(20)32-4)19-10-7-9-18(26)14-19/h5-11,14H,12-13H2,1-4H3,(H,27,31)
InChIKeyVCQPEQOGTCFDMW-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.06
Rot. Bonds6

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

3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide (PubChem CID 50796263) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
PubChem CID50796263
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
SMILESCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccccc1C
InChIInChI=1S/C25H25FN4O2/c1-15-8-5-6-11-21(15)27-22(31)13-12-20-16(2)23-17(3)29-30(24(23)28-25(20)32-4)19-10-7-9-18(26)14-19/h5-11,14H,12-13H2,1-4H3,(H,27,31)
InChIKeyVCQPEQOGTCFDMW-UHFFFAOYSA-N
XLogP5.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 50796331
N-(4-fluoro-2-methylphenyl)-3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796437
N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796043
N-cyclohexyl-3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796244
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-(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-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(2-methoxyphenyl)propanamide
CID 50796096
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796301
N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796138
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 50796311

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide (CID 50796263) is 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide is COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccccc1C.
What is the InChIKey of 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is VCQPEQOGTCFDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-15-8-5-6-11-21(15)27-22(31)13-12-20-16(2)23-17(3)29-30(24(23)28-25(20)32-4)19-10-7-9-18(26)14-19/h5-11,14H,12-13H2,1-4H3,(H,27,31).
What are the key properties of 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide?
3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 432.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 50796263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).