3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

C25H32N4O2 — CID 50796191

IUPAC3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C25H32N4O2/c1-5-31-25-21(11-12-22(30)28-15-13-17(2)14-16-28)18(3)23-19(4)27-29(24(23)26-25)20-9-7-6-8-10-20/h6-10,17H,5,11-16H2,1-4H3
InChIKeyLFUNKXBEPHLCSF-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.63
Rot. Bonds6

About 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 50796191) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID50796191
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C25H32N4O2/c1-5-31-25-21(11-12-22(30)28-15-13-17(2)14-16-28)18(3)23-19(4)27-29(24(23)26-25)20-9-7-6-8-10-20/h6-10,17H,5,11-16H2,1-4H3
InChIKeyLFUNKXBEPHLCSF-UHFFFAOYSA-N
XLogP4.63
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796215
1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 50796325
1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 23602926
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-phenylpropanamide
CID 50796208
ethyl 1-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoyl]piperidine-4-carboxylate
CID 23603484
N-(3,4-difluorophenyl)-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796138
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 20863650
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2096325
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-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796295
3-[6-ethoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-(3-methoxyphenyl)propanamide
CID 50796213

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 50796191) is 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCC(C)CC1.
What is the InChIKey of 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is LFUNKXBEPHLCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-31-25-21(11-12-22(30)28-15-13-17(2)14-16-28)18(3)23-19(4)27-29(24(23)26-25)20-9-7-6-8-10-20/h6-10,17H,5,11-16H2,1-4H3.
What are the key properties of 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 420.56 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 50796191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).