N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C24H21FN4O3 — CID 18570591

IUPACN-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C24H21FN4O3/c25-20-10-4-5-11-21(20)26-23(30)18-14-28(13-17-9-6-12-32-17)15-19-22(18)27-29(24(19)31)16-7-2-1-3-8-16/h1-5,7-8,10-11,14-15,17H,6,9,12-13H2,(H,26,30)
InChIKeyZUHADHMORIYQSJ-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.71
Rot. Bonds5

About N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570591) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570591
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccccc1F)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C24H21FN4O3/c25-20-10-4-5-11-21(20)26-23(30)18-14-28(13-17-9-6-12-32-17)15-19-22(18)27-29(24(19)31)16-7-2-1-3-8-16/h1-5,7-8,10-11,14-15,17H,6,9,12-13H2,(H,26,30)
InChIKeyZUHADHMORIYQSJ-UHFFFAOYSA-N
XLogP3.71
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-3-oxo-2-phenyl-5-((tetrahydrofuran-2-yl)methyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570592
N-(2,6-difluorobenzyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 44015791
7-(4-ethylpiperazine-1-carbonyl)-2-phenyl-5-((tetrahydrofuran-2-yl)methyl)-2H-pyrazolo[4,3-c]pyridin-3(5H)-one
CID 44046586
7-(4-butylpiperazine-1-carbonyl)-2-phenyl-5-((tetrahydrofuran-2-yl)methyl)-2H-pyrazolo[4,3-c]pyridin-3(5H)-one
CID 44046588
N-(3-fluorophenyl)-5-methyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16812534
N-(2,4-difluorophenyl)-5-methyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16812538
N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16812539
5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16820369
N-(3,4-difluorophenyl)-5-ethyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16820373
N-(2-fluorophenyl)-3-oxo-2-phenyl-5-propyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16820380
7-(4-(4-fluorophenyl)piperazine-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-2H-pyrazolo[4,3-c]pyridin-3(5H)-one
CID 18570435
N-(4-fluorobenzyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570449

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570591) is N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is O=C(Nc1ccccc1F)c1cn(CC2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2.
What is the InChIKey of N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is ZUHADHMORIYQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-20-10-4-5-11-21(20)26-23(30)18-14-28(13-17-9-6-12-32-17)15-19-22(18)27-29(24(19)31)16-7-2-1-3-8-16/h1-5,7-8,10-11,14-15,17H,6,9,12-13H2,(H,26,30).
What are the key properties of N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-oxo-5-(oxolan-2-ylmethyl)-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).