N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C19H10ClF2N5O2S — CID 78318658

IUPACN-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESN#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc12
InChIInChI=1S/C19H10ClF2N5O2S/c20-19-16(26-30(28,29)18-2-1-14(21)7-15(18)22)5-12(9-24-19)11-3-4-27-17(6-11)13(8-23)10-25-27/h1-7,9-10,26H
InChIKeyGQGQCTOJMAQQQW-UHFFFAOYSA-N
MW445.84 g/mol
LogP4.00
Rot. Bonds4

About N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 78318658) has the molecular formula C19H10ClF2N5O2S and a molecular weight of 445.84 g/mol. Its IUPAC name is N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID78318658
Molecular FormulaC19H10ClF2N5O2S
Molecular Weight445.84 g/mol
Exact Mass445.02
IUPAC NameN-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESN#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc12
InChIInChI=1S/C19H10ClF2N5O2S/c20-19-16(26-30(28,29)18-2-1-14(21)7-15(18)22)5-12(9-24-19)11-3-4-27-17(6-11)13(8-23)10-25-27/h1-7,9-10,26H
InChIKeyGQGQCTOJMAQQQW-UHFFFAOYSA-N
XLogP4.00
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 144688005
N-[5-[3-(3,3-dimethylbut-1-ynyl)pyrazolo[1,5-a]pyridin-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 90347334
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 158569818
N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide
CID 144687999
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 78318715
N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71556507
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 90033860
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
N-[2-chloro-5-[3-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 155565150
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 78318658) is N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide is N#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc12.
What is the InChIKey of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GQGQCTOJMAQQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N5O2S/c20-19-16(26-30(28,29)18-2-1-14(21)7-15(18)22)5-12(9-24-19)11-3-4-27-17(6-11)13(8-23)10-25-27/h1-7,9-10,26H.
What are the key properties of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 445.84 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 78318658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).