N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide

C18H19FN4O4S — CID 123163017

IUPACN'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide
SMILESCCN(N(C)C(=O)c1c(-c2ccc(F)cc2)[nH]n2ccc(=O)cc12)S(C)(=O)=O
InChIInChI=1S/C18H19FN4O4S/c1-4-23(28(3,26)27)21(2)18(25)16-15-11-14(24)9-10-22(15)20-17(16)12-5-7-13(19)8-6-12/h5-11,20H,4H2,1-3H3
InChIKeyORRAZXPYWJHOJF-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.70
Rot. Bonds5

About N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide

N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide (PubChem CID 123163017) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide
PubChem CID123163017
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC NameN'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide
SMILESCCN(N(C)C(=O)c1c(-c2ccc(F)cc2)[nH]n2ccc(=O)cc12)S(C)(=O)=O
InChIInChI=1S/C18H19FN4O4S/c1-4-23(28(3,26)27)21(2)18(25)16-15-11-14(24)9-10-22(15)20-17(16)12-5-7-13(19)8-6-12/h5-11,20H,4H2,1-3H3
InChIKeyORRAZXPYWJHOJF-UHFFFAOYSA-N
XLogP1.70
TPSA94.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide?
The IUPAC name of N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide (CID 123163017) is N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide is CCN(N(C)C(=O)c1c(-c2ccc(F)cc2)[nH]n2ccc(=O)cc12)S(C)(=O)=O.
What is the InChIKey of N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide?
The InChIKey is ORRAZXPYWJHOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c1-4-23(28(3,26)27)21(2)18(25)16-15-11-14(24)9-10-22(15)20-17(16)12-5-7-13(19)8-6-12/h5-11,20H,4H2,1-3H3.
What are the key properties of N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide?
N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide has a molecular weight of 406.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-(4-fluorophenyl)-N-methyl-N'-methylsulfonyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 123163017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).