N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide

C18H19FN4O3S — CID 142749646

IUPACN-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide
SMILESCCCCCC(=O)Nc1[nH]nc2ncc(S(=O)(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C18H19FN4O3S/c1-2-3-4-8-16(24)21-18-15-10-14(11-20-17(15)22-23-18)27(25,26)13-7-5-6-12(19)9-13/h5-7,9-11H,2-4,8H2,1H3,(H2,20,21,22,23,24)
InChIKeyCXGLOCBJICXMCK-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.45
Rot. Bonds7

About N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide

N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide (PubChem CID 142749646) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide
PubChem CID142749646
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC NameN-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide
SMILESCCCCCC(=O)Nc1[nH]nc2ncc(S(=O)(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C18H19FN4O3S/c1-2-3-4-8-16(24)21-18-15-10-14(11-20-17(15)22-23-18)27(25,26)13-7-5-6-12(19)9-13/h5-7,9-11H,2-4,8H2,1H3,(H2,20,21,22,23,24)
InChIKeyCXGLOCBJICXMCK-UHFFFAOYSA-N
XLogP3.45
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539540
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(5-methyl-1H-pyrazol-3-yl)nonanamide
CID 47289748
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
N-(2-acetyl-5-fluorophenyl)hexanamide
CID 134838047
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide?
The IUPAC name of N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide (CID 142749646) is N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide?
The canonical SMILES for N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide is CCCCCC(=O)Nc1[nH]nc2ncc(S(=O)(=O)c3cccc(F)c3)cc12.
What is the InChIKey of N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide?
The InChIKey is CXGLOCBJICXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-2-3-4-8-16(24)21-18-15-10-14(11-20-17(15)22-23-18)27(25,26)13-7-5-6-12(19)9-13/h5-7,9-11H,2-4,8H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide?
N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide has a molecular weight of 390.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)sulfonyl-2H-pyrazolo[3,4-b]pyridin-3-yl]hexanamide is sourced from PubChem (CID 142749646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).