2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide

C24H23FN4O3S — CID 130298798

IUPAC2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2cc(-c3ccc(F)cc3)nc(-c3ccnn3C(C)(C)C)c2)C(=O)CSC1=O
InChIInChI=1S/C24H23FN4O3S/c1-23(2,3)29-19(9-10-26-29)18-12-15(11-17(27-18)14-5-7-16(25)8-6-14)21(31)28-24(4)20(30)13-33-22(24)32/h5-12H,13H2,1-4H3,(H,28,31)
InChIKeyNKUOSQJAGIVZSK-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide

2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide (PubChem CID 130298798) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide
PubChem CID130298798
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2cc(-c3ccc(F)cc3)nc(-c3ccnn3C(C)(C)C)c2)C(=O)CSC1=O
InChIInChI=1S/C24H23FN4O3S/c1-23(2,3)29-19(9-10-26-29)18-12-15(11-17(27-18)14-5-7-16(25)8-6-14)21(31)28-24(4)20(30)13-33-22(24)32/h5-12H,13H2,1-4H3,(H,28,31)
InChIKeyNKUOSQJAGIVZSK-UHFFFAOYSA-N
XLogP3.84
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
CID 159712176
N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 130344579
N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 130298804
2-bromo-N-(2-cyclopropylpropan-2-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide
CID 130298796
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
4-(2-tert-butylpyrazol-3-yl)phenol
CID 136866730
N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 130298832
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-fluorophenyl)-6-phenylpyridine-4-carboxamide
CID 44723208
N-(2-amino-2-methylpropyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627629
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
2-(cyclopropylamino)-6-(4-fluorophenyl)pyridine-4-carboxylic acid
CID 82306243
1-tert-butyl-4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573970

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide (CID 130298798) is 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide is CC1(NC(=O)c2cc(-c3ccc(F)cc3)nc(-c3ccnn3C(C)(C)C)c2)C(=O)CSC1=O.
What is the InChIKey of 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide?
The InChIKey is NKUOSQJAGIVZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-23(2,3)29-19(9-10-26-29)18-12-15(11-17(27-18)14-5-7-16(25)8-6-14)21(31)28-24(4)20(30)13-33-22(24)32/h5-12H,13H2,1-4H3,(H,28,31).
What are the key properties of 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide?
2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130298798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).