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

C26H31FN4O4 — CID 126742441

IUPAC1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C26H31FN4O4/c1-15(2)22-21-19(16-10-12-30(13-11-16)25(34)35-26(3,4)5)14-20(24(32)33)28-23(21)31(29-22)18-8-6-17(27)7-9-18/h6-9,14-16H,10-13H2,1-5H3,(H,32,33)
InChIKeyYSMGVBNAPPVJJW-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.50
Rot. Bonds4

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

1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742441) has the molecular formula C26H31FN4O4 and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742441
Molecular FormulaC26H31FN4O4
Molecular Weight482.56 g/mol
Exact Mass482.23
IUPAC Name1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C26H31FN4O4/c1-15(2)22-21-19(16-10-12-30(13-11-16)25(34)35-26(3,4)5)14-20(24(32)33)28-23(21)31(29-22)18-8-6-17(27)7-9-18/h6-9,14-16H,10-13H2,1-5H3,(H,32,33)
InChIKeyYSMGVBNAPPVJJW-UHFFFAOYSA-N
XLogP5.50
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-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 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742441) is 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)c12.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is YSMGVBNAPPVJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4/c1-15(2)22-21-19(16-10-12-30(13-11-16)25(34)35-26(3,4)5)14-20(24(32)33)28-23(21)31(29-22)18-8-6-17(27)7-9-18/h6-9,14-16H,10-13H2,1-5H3,(H,32,33).
What are the key properties of 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 482.56 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).