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

C25H26N4O2 — CID 50796242

IUPAC3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
SMILESCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H26N4O2/c1-16-10-12-19(13-11-16)26-22(30)15-14-21-17(2)23-18(3)28-29(20-8-6-5-7-9-20)24(23)27-25(21)31-4/h5-13H,14-15H2,1-4H3,(H,26,30)
InChIKeyOUEXFGXRFGGLGT-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.93
Rot. Bonds6

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

3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide (PubChem CID 50796242) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
PubChem CID50796242
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
SMILESCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H26N4O2/c1-16-10-12-19(13-11-16)26-22(30)15-14-21-17(2)23-18(3)28-29(20-8-6-5-7-9-20)24(23)27-25(21)31-4/h5-13H,14-15H2,1-4H3,(H,26,30)
InChIKeyOUEXFGXRFGGLGT-UHFFFAOYSA-N
XLogP4.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methoxyphenyl)propanamide
CID 50796406
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208
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
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
CID 50796168
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
CID 50796213
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-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796138
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 50796311
3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
CID 50796263
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796295

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide (CID 50796242) is 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide is COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is OUEXFGXRFGGLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-10-12-19(13-11-16)26-22(30)15-14-21-17(2)23-18(3)28-29(20-8-6-5-7-9-20)24(23)27-25(21)31-4/h5-13H,14-15H2,1-4H3,(H,26,30).
What are the key properties of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 50796242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).