N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C21H16ClFN4O2 — CID 135853420

IUPACN-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccc(F)cc3)c2=O)cc1Cl
InChIInChI=1S/C21H16ClFN4O2/c1-11-3-6-14(9-17(11)22)25-21(29)16-10-24-20-18(19(16)28)12(2)26-27(20)15-7-4-13(23)5-8-15/h3-10H,1-2H3,(H,24,28)(H,25,29)
InChIKeyVHGYLPPUFVWACF-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.38
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 135853420) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID135853420
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccc(F)cc3)c2=O)cc1Cl
InChIInChI=1S/C21H16ClFN4O2/c1-11-3-6-14(9-17(11)22)25-21(29)16-10-24-20-18(19(16)28)12(2)26-27(20)15-7-4-13(23)5-8-15/h3-10H,1-2H3,(H,24,28)(H,25,29)
InChIKeyVHGYLPPUFVWACF-UHFFFAOYSA-N
XLogP4.38
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-methyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135551980
3-methyl-4-oxo-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135853398
3-methyl-N-(3-nitrophenyl)-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86261897
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626738
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823272
4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627274
tert-butyl 4-[4-[(3-chloro-4-methylphenyl)carbamoyl]-1-(4-fluorophenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46350660

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 135853420) is N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccc(F)cc3)c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VHGYLPPUFVWACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c1-11-3-6-14(9-17(11)22)25-21(29)16-10-24-20-18(19(16)28)12(2)26-27(20)15-7-4-13(23)5-8-15/h3-10H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 410.84 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(4-fluorophenyl)-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135853420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).