N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide

C20H15F2N5O3S — CID 118293488

IUPACN-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(NS(=O)(=O)c3ccc(F)cc3F)c3ccnn3c2)ccn1
InChIInChI=1S/C20H15F2N5O3S/c1-12(28)25-20-9-13(4-6-23-20)14-8-17(18-5-7-24-27(18)11-14)26-31(29,30)19-3-2-15(21)10-16(19)22/h2-11,26H,1H3,(H,23,25,28)
InChIKeyYWMPUXBINIAXBI-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.43
Rot. Bonds5

About N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide

N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide (PubChem CID 118293488) has the molecular formula C20H15F2N5O3S and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide
PubChem CID118293488
Molecular FormulaC20H15F2N5O3S
Molecular Weight443.44 g/mol
Exact Mass443.09
IUPAC NameN-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(NS(=O)(=O)c3ccc(F)cc3F)c3ccnn3c2)ccn1
InChIInChI=1S/C20H15F2N5O3S/c1-12(28)25-20-9-13(4-6-23-20)14-8-17(18-5-7-24-27(18)11-14)26-31(29,30)19-3-2-15(21)10-16(19)22/h2-11,26H,1H3,(H,23,25,28)
InChIKeyYWMPUXBINIAXBI-UHFFFAOYSA-N
XLogP3.43
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide (CID 118293488) is N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(NS(=O)(=O)c3ccc(F)cc3F)c3ccnn3c2)ccn1.
What is the InChIKey of N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide?
The InChIKey is YWMPUXBINIAXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3S/c1-12(28)25-20-9-13(4-6-23-20)14-8-17(18-5-7-24-27(18)11-14)26-31(29,30)19-3-2-15(21)10-16(19)22/h2-11,26H,1H3,(H,23,25,28).
What are the key properties of N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide?
N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide has a molecular weight of 443.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).