4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C24H27FN4O4 — CID 126742713

IUPAC4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCOC(=O)N1CCC(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN4O4/c1-4-33-24(32)28-11-9-15(10-12-28)18-13-19(23(30)31)26-22-20(18)21(14(2)3)27-29(22)17-7-5-16(25)6-8-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,30,31)
InChIKeyCOXWEFNDRTXZJH-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.72
Rot. Bonds5

About 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742713) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742713
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCOC(=O)N1CCC(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN4O4/c1-4-33-24(32)28-11-9-15(10-12-28)18-13-19(23(30)31)26-22-20(18)21(14(2)3)27-29(22)17-7-5-16(25)6-8-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,30,31)
InChIKeyCOXWEFNDRTXZJH-UHFFFAOYSA-N
XLogP4.72
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid 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 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742713) is 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CCOC(=O)N1CCC(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is COXWEFNDRTXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-4-33-24(32)28-11-9-15(10-12-28)18-13-19(23(30)31)26-22-20(18)21(14(2)3)27-29(22)17-7-5-16(25)6-8-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,30,31).
What are the key properties of 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 454.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxycarbonylpiperidin-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).