N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

C23H21FN4O3 — CID 50829392

IUPACN-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(C)c3c(c(C)nn3-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H21FN4O3/c1-4-31-18-11-7-16(8-12-18)25-22(30)19-13-27(3)23-20(21(19)29)14(2)26-28(23)17-9-5-15(24)6-10-17/h5-13H,4H2,1-3H3,(H,25,30)
InChIKeyFWNQGILBMNMATQ-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.82
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 50829392) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID50829392
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn(C)c3c(c(C)nn3-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H21FN4O3/c1-4-31-18-11-7-16(8-12-18)25-22(30)19-13-27(3)23-20(21(19)29)14(2)26-28(23)17-9-5-15(24)6-10-17/h5-13H,4H2,1-3H3,(H,25,30)
InChIKeyFWNQGILBMNMATQ-UHFFFAOYSA-N
XLogP3.82
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (CID 50829392) is N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is CCOc1ccc(NC(=O)c2cn(C)c3c(c(C)nn3-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is FWNQGILBMNMATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-4-31-18-11-7-16(8-12-18)25-22(30)19-13-27(3)23-20(21(19)29)14(2)26-28(23)17-9-5-15(24)6-10-17/h5-13H,4H2,1-3H3,(H,25,30).
What are the key properties of N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 50829392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).