6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

C18H17F2N7O2S — CID 133351614

IUPAC6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESN#Cc1c(N)n[nH]c1CCCNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C18H17F2N7O2S/c19-11-6-12(20)8-13(7-11)27-30(28,29)14-3-4-17(24-10-14)23-5-1-2-16-15(9-21)18(22)26-25-16/h3-4,6-8,10,27H,1-2,5H2,(H,23,24)(H3,22,25,26)
InChIKeyJKFXCEZEENKTFG-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.38
Rot. Bonds8

About 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133351614) has the molecular formula C18H17F2N7O2S and a molecular weight of 433.44 g/mol. Its IUPAC name is 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133351614
Molecular FormulaC18H17F2N7O2S
Molecular Weight433.44 g/mol
Exact Mass433.11
IUPAC Name6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESN#Cc1c(N)n[nH]c1CCCNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C18H17F2N7O2S/c19-11-6-12(20)8-13(7-11)27-30(28,29)14-3-4-17(24-10-14)23-5-1-2-16-15(9-21)18(22)26-25-16/h3-4,6-8,10,27H,1-2,5H2,(H,23,24)(H3,22,25,26)
InChIKeyJKFXCEZEENKTFG-UHFFFAOYSA-N
XLogP2.38
TPSA149.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
N-(3,5-difluorophenyl)-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-sulfonamide
CID 133314068
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133399653
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile
CID 46817449
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(3,5-difluorophenyl)-6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-sulfonamide
CID 133355290
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133381584
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (CID 133351614) is 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is N#Cc1c(N)n[nH]c1CCCNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is JKFXCEZEENKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O2S/c19-11-6-12(20)8-13(7-11)27-30(28,29)14-3-4-17(24-10-14)23-5-1-2-16-15(9-21)18(22)26-25-16/h3-4,6-8,10,27H,1-2,5H2,(H,23,24)(H3,22,25,26).
What are the key properties of 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 433.44 g/mol, XLogP of 2.38, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133351614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).