(3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate

C20H20F2N5O3S- — CID 140675013

IUPAC(3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate
SMILESCN(C)S(=O)(=O)/N=C(\[O-])c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)c(F)c12
InChIInChI=1S/C20H21F2N5O3S/c1-25(2)31(29,30)24-20(28)15-12-23-27-10-8-17(18(22)19(15)27)26-9-4-7-16(26)13-5-3-6-14(21)11-13/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3,(H,24,28)/p-1/t16-/m1/s1
InChIKeyXHBGVBGCFJOSDD-MRXNPFEDSA-M
MW448.48 g/mol
LogP1.87
Rot. Bonds5

About (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate

(3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate (PubChem CID 140675013) has the molecular formula C20H20F2N5O3S- and a molecular weight of 448.48 g/mol. Its IUPAC name is (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate.

Molecular Properties

Compound Name(3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate
PubChem CID140675013
Molecular FormulaC20H20F2N5O3S-
Molecular Weight448.48 g/mol
Exact Mass448.13
IUPAC Name(3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate
SMILESCN(C)S(=O)(=O)/N=C(\[O-])c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)c(F)c12
InChIInChI=1S/C20H21F2N5O3S/c1-25(2)31(29,30)24-20(28)15-12-23-27-10-8-17(18(22)19(15)27)26-9-4-7-16(26)13-5-3-6-14(21)11-13/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3,(H,24,28)/p-1/t16-/m1/s1
InChIKeyXHBGVBGCFJOSDD-MRXNPFEDSA-M
XLogP1.87
TPSA93.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate 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 (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate?
The IUPAC name of (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate (CID 140675013) is (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate.
What is the SMILES notation for (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate?
The canonical SMILES for (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate is CN(C)S(=O)(=O)/N=C(\[O-])c1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)c(F)c12.
What is the InChIKey of (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate?
The InChIKey is XHBGVBGCFJOSDD-MRXNPFEDSA-M. The full InChI is InChI=1S/C20H21F2N5O3S/c1-25(2)31(29,30)24-20(28)15-12-23-27-10-8-17(18(22)19(15)27)26-9-4-7-16(26)13-5-3-6-14(21)11-13/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3,(H,24,28)/p-1/t16-/m1/s1.
What are the key properties of (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate?
(3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate has a molecular weight of 448.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(dimethylsulfamoyl)-4-fluoro-5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboximidate is sourced from PubChem (CID 140675013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).