N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide

C17H10ClN7O2S — CID 78318715

IUPACN-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide
SMILESN#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccnc4)c3)nc12
InChIInChI=1S/C17H10ClN7O2S/c18-16-15(24-28(26,27)13-2-1-4-20-10-13)6-11(8-21-16)14-3-5-25-17(23-14)12(7-19)9-22-25/h1-6,8-10,24H
InChIKeyVXNHOOUBZOAWON-UHFFFAOYSA-N
MW411.83 g/mol
LogP2.51
Rot. Bonds4

About N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide

N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 78318715) has the molecular formula C17H10ClN7O2S and a molecular weight of 411.83 g/mol. Its IUPAC name is N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID78318715
Molecular FormulaC17H10ClN7O2S
Molecular Weight411.83 g/mol
Exact Mass411.03
IUPAC NameN-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide
SMILESN#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccnc4)c3)nc12
InChIInChI=1S/C17H10ClN7O2S/c18-16-15(24-28(26,27)13-2-1-4-20-10-13)6-11(8-21-16)14-3-5-25-17(23-14)12(7-19)9-22-25/h1-6,8-10,24H
InChIKeyVXNHOOUBZOAWON-UHFFFAOYSA-N
XLogP2.51
TPSA125.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.83
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 78318658
N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87554239
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517
N-(4-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 86819051
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608268
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548
N-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane
CID 159810489
N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 46913311

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide (CID 78318715) is N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide is N#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccnc4)c3)nc12.
What is the InChIKey of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is VXNHOOUBZOAWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN7O2S/c18-16-15(24-28(26,27)13-2-1-4-20-10-13)6-11(8-21-16)14-3-5-25-17(23-14)12(7-19)9-22-25/h1-6,8-10,24H.
What are the key properties of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide?
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 411.83 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 78318715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).