4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C17H16FN5O2S — CID 155296142

IUPAC4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]N=S(=O)(CC(C)(C)O)c1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C17H16FN5O2S/c1-17(2,24)10-26(20,25)13-5-14(11-3-4-15(18)21-7-11)16-12(6-19)8-22-23(16)9-13/h3-5,7-9,20,24H,10H2,1-2H3
InChIKeyJICUGTNSWIFBDV-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.58
Rot. Bonds4

About 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296142) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155296142
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC Name4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]N=S(=O)(CC(C)(C)O)c1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C17H16FN5O2S/c1-17(2,24)10-26(20,25)13-5-14(11-3-4-15(18)21-7-11)16-12(6-19)8-22-23(16)9-13/h3-5,7-9,20,24H,10H2,1-2H3
InChIKeyJICUGTNSWIFBDV-UHFFFAOYSA-N
XLogP2.58
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296142) is 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is [H]N=S(=O)(CC(C)(C)O)c1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JICUGTNSWIFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-17(2,24)10-26(20,25)13-5-14(11-3-4-15(18)21-7-11)16-12(6-19)8-22-23(16)9-13/h3-5,7-9,20,24H,10H2,1-2H3.
What are the key properties of 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 373.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).