N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide

C16H15FN4O3S — CID 90973344

IUPACN-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide
SMILESCc1cnc2n[nH]c(C(=O)c3c(C)ccc(NS(C)(=O)=O)c3F)c2c1
InChIInChI=1S/C16H15FN4O3S/c1-8-6-10-14(19-20-16(10)18-7-8)15(22)12-9(2)4-5-11(13(12)17)21-25(3,23)24/h4-7,21H,1-3H3,(H,18,19,20)
InChIKeyUVGCFRWTNVFQLL-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.32
Rot. Bonds4

About N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide

N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide (PubChem CID 90973344) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide
PubChem CID90973344
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC NameN-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide
SMILESCc1cnc2n[nH]c(C(=O)c3c(C)ccc(NS(C)(=O)=O)c3F)c2c1
InChIInChI=1S/C16H15FN4O3S/c1-8-6-10-14(19-20-16(10)18-7-8)15(22)12-9(2)4-5-11(13(12)17)21-25(3,23)24/h4-7,21H,1-3H3,(H,18,19,20)
InChIKeyUVGCFRWTNVFQLL-UHFFFAOYSA-N
XLogP2.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylbenzenesulfonamide
CID 139386290
ethane;N-[2-fluoro-4-methyl-3-(4-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;methane
CID 158389682
3,5-dimethyl-2H-pyrazolo[3,4-b]pyridine
CID 59424411
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide
CID 66646690
N-[2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58086479
N-[3-[2-(3-bromo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 58227744
2,6-difluoro-3-(methanesulfonamido)benzamide
CID 169218137
N-[4-amino-3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]methanesulfonamide
CID 91515532
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564
N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
CID 139369611
5-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-2-carboxylic acid
CID 155591854
1,1,3,3,3-pentadeuterio-N-[2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 52953184

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide (CID 90973344) is N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide is Cc1cnc2n[nH]c(C(=O)c3c(C)ccc(NS(C)(=O)=O)c3F)c2c1.
What is the InChIKey of N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide?
The InChIKey is UVGCFRWTNVFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-8-6-10-14(19-20-16(10)18-7-8)15(22)12-9(2)4-5-11(13(12)17)21-25(3,23)24/h4-7,21H,1-3H3,(H,18,19,20).
What are the key properties of N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide?
N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide has a molecular weight of 362.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-3-(5-methyl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 90973344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).