N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H29F2N5O4S — CID 71599351

IUPACN-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCCF)cc12
InChIInChI=1S/C24H29F2N5O4S/c1-3-29(4-2)36(33,34)28-24(32)20-16-27-31-12-9-18(15-22(20)31)30-11-5-6-21(30)19-14-17(26)7-8-23(19)35-13-10-25/h7-9,12,14-16,21H,3-6,10-11,13H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyYFFFZTBNEMJHRV-OAQYLSRUSA-N
MW521.59 g/mol
LogP3.48
Rot. Bonds10

About N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599351) has the molecular formula C24H29F2N5O4S and a molecular weight of 521.59 g/mol. Its IUPAC name is N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599351
Molecular FormulaC24H29F2N5O4S
Molecular Weight521.59 g/mol
Exact Mass521.19
IUPAC NameN-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCCF)cc12
InChIInChI=1S/C24H29F2N5O4S/c1-3-29(4-2)36(33,34)28-24(32)20-16-27-31-12-9-18(15-22(20)31)30-11-5-6-21(30)19-14-17(26)7-8-23(19)35-13-10-25/h7-9,12,14-16,21H,3-6,10-11,13H2,1-2H3,(H,28,32)/t21-/m1/s1
InChIKeyYFFFZTBNEMJHRV-OAQYLSRUSA-N
XLogP3.48
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599351) is N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN(CC)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCCF)cc12.
What is the InChIKey of N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YFFFZTBNEMJHRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29F2N5O4S/c1-3-29(4-2)36(33,34)28-24(32)20-16-27-31-12-9-18(15-22(20)31)30-11-5-6-21(30)19-14-17(26)7-8-23(19)35-13-10-25/h7-9,12,14-16,21H,3-6,10-11,13H2,1-2H3,(H,28,32)/t21-/m1/s1.
What are the key properties of N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 521.59 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylsulfamoyl)-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).