2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide

C26H21FN4O3 — CID 136762034

IUPAC2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2cccc(F)c2)cc1
InChIInChI=1S/C26H21FN4O3/c27-18-7-4-8-19(13-18)31-26-24(25(30-31)17-5-2-1-3-6-17)21(14-23(33)29-26)16-9-11-20(12-10-16)34-15-22(28)32/h1-13,21H,14-15H2,(H2,28,32)(H,29,33)/t21-/m1/s1
InChIKeyKREFKWRHRXLMAR-OAQYLSRUSA-N
MW456.48 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide

2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide (PubChem CID 136762034) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
PubChem CID136762034
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC Name2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2cccc(F)c2)cc1
InChIInChI=1S/C26H21FN4O3/c27-18-7-4-8-19(13-18)31-26-24(25(30-31)17-5-2-1-3-6-17)21(14-23(33)29-26)16-9-11-20(12-10-16)34-15-22(28)32/h1-13,21H,14-15H2,(H2,28,32)(H,29,33)/t21-/m1/s1
InChIKeyKREFKWRHRXLMAR-OAQYLSRUSA-N
XLogP4.02
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide 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 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide (CID 136762034) is 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide is NC(=O)COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide?
The InChIKey is KREFKWRHRXLMAR-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H21FN4O3/c27-18-7-4-8-19(13-18)31-26-24(25(30-31)17-5-2-1-3-6-17)21(14-23(33)29-26)16-9-11-20(12-10-16)34-15-22(28)32/h1-13,21H,14-15H2,(H2,28,32)(H,29,33)/t21-/m1/s1.
What are the key properties of 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide?
2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide has a molecular weight of 456.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4R)-1-(3-fluorophenyl)-6-oxo-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide is sourced from PubChem (CID 136762034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).