2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide

C19H10Cl2FN5O2S — CID 166889386

IUPAC2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H10Cl2FN5O2S/c20-14-3-4-15(21)16(8-14)30(28,29)27-19-17(22)12(5-6-23-19)2-1-11-7-13-10-25-26-18(13)24-9-11/h3-10H,(H,23,27)(H,24,25,26)
InChIKeyPNMYMZTYYBIEBI-UHFFFAOYSA-N
MW462.29 g/mol
LogP4.00
Rot. Bonds3

About 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide

2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 166889386) has the molecular formula C19H10Cl2FN5O2S and a molecular weight of 462.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide
PubChem CID166889386
Molecular FormulaC19H10Cl2FN5O2S
Molecular Weight462.29 g/mol
Exact Mass460.99
IUPAC Name2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H10Cl2FN5O2S/c20-14-3-4-15(21)16(8-14)30(28,29)27-19-17(22)12(5-6-23-19)2-1-11-7-13-10-25-26-18(13)24-9-11/h3-10H,(H,23,27)(H,24,25,26)
InChIKeyPNMYMZTYYBIEBI-UHFFFAOYSA-N
XLogP4.00
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.29
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Sgk1-IN-1
CID 71506845
Sgk1-IN-2
CID 71537261
N-(2-Chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 141461656
2,5-dichloro-N-[4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537258
2,5-dichloro-N-[2-fluoro-4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537259
2,3-dichloro-N-[2-fluoro-4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537260
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)-2-fluorophenyl]-5-chloro-2-fluorobenzenesulfonamide
CID 71537263
N-[4-(3-amino-1H-pyrazolo[3,4-b]pyrazin-6-yl)-2-fluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 71537540
N-[4-(3-amino-1H-pyrazolo[3,4-b]pyrazin-6-yl)-2-fluorophenyl]-2,3-dichlorobenzenesulfonamide
CID 71537541
2,5-dichloro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537542
5-chloro-2-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537544
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2,4-difluorobenzenesulfonamide
CID 71538952

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide (CID 166889386) is 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1nccc(C#Cc2cnc3[nH]ncc3c2)c1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is PNMYMZTYYBIEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2FN5O2S/c20-14-3-4-15(21)16(8-14)30(28,29)27-19-17(22)12(5-6-23-19)2-1-11-7-13-10-25-26-18(13)24-9-11/h3-10H,(H,23,27)(H,24,25,26).
What are the key properties of 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide?
2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 462.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-fluoro-4-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 166889386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).