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

C27H29FN4O4 — CID 50796043

IUPACN-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C27H29FN4O4/c1-6-36-27-21(11-13-24(33)29-22-12-10-20(34-4)15-23(22)35-5)16(2)25-17(3)31-32(26(25)30-27)19-9-7-8-18(28)14-19/h7-10,12,14-15H,6,11,13H2,1-5H3,(H,29,33)
InChIKeyONWYRKNNGJDYIZ-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.16
Rot. Bonds9

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

N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 50796043) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID50796043
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C27H29FN4O4/c1-6-36-27-21(11-13-24(33)29-22-12-10-20(34-4)15-23(22)35-5)16(2)25-17(3)31-32(26(25)30-27)19-9-7-8-18(28)14-19/h7-10,12,14-15H,6,11,13H2,1-5H3,(H,29,33)
InChIKeyONWYRKNNGJDYIZ-UHFFFAOYSA-N
XLogP5.16
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
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-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-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
CID 50796263
N-(2,4-dimethoxyphenyl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961379
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
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)-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-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(4-fluorophenyl)propanamide
CID 50796168
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 50796184

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 50796043) is N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide is CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is ONWYRKNNGJDYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-6-36-27-21(11-13-24(33)29-22-12-10-20(34-4)15-23(22)35-5)16(2)25-17(3)31-32(26(25)30-27)19-9-7-8-18(28)14-19/h7-10,12,14-15H,6,11,13H2,1-5H3,(H,29,33).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 492.55 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[6-ethoxy-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 50796043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).