N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C22H19FN4O3S — CID 130431517

IUPACN-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1)c1cc2ccccn2n1
InChIInChI=1S/C22H19FN4O3S/c23-18-4-3-6-20(12-18)31(29,30)25-15-17-9-7-16(8-10-17)14-24-22(28)21-13-19-5-1-2-11-27(19)26-21/h1-13,25H,14-15H2,(H,24,28)
InChIKeyMYXNABOPLDEADF-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.88
Rot. Bonds7

About N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 130431517) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID130431517
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1)c1cc2ccccn2n1
InChIInChI=1S/C22H19FN4O3S/c23-18-4-3-6-20(12-18)31(29,30)25-15-17-9-7-16(8-10-17)14-24-22(28)21-13-19-5-1-2-11-27(19)26-21/h1-13,25H,14-15H2,(H,24,28)
InChIKeyMYXNABOPLDEADF-UHFFFAOYSA-N
XLogP2.88
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 130431517) is N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(NCc1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1)c1cc2ccccn2n1.
What is the InChIKey of N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is MYXNABOPLDEADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c23-18-4-3-6-20(12-18)31(29,30)25-15-17-9-7-16(8-10-17)14-24-22(28)21-13-19-5-1-2-11-27(19)26-21/h1-13,25H,14-15H2,(H,24,28).
What are the key properties of N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 130431517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).