N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide

C17H15N5O2S — CID 170504939

IUPACN-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide
SMILESCc1cc(-c2[nH]nc3ncccc23)nc2ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C17H15N5O2S/c1-10-8-15(16-12-4-3-7-18-17(12)21-20-16)19-14-6-5-11(9-13(10)14)22-25(2,23)24/h3-9,22H,1-2H3,(H,18,20,21)
InChIKeySHGPLFLHBRXHCH-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.85
Rot. Bonds3

About N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide

N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide (PubChem CID 170504939) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide
PubChem CID170504939
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide
SMILESCc1cc(-c2[nH]nc3ncccc23)nc2ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C17H15N5O2S/c1-10-8-15(16-12-4-3-7-18-17(12)21-20-16)19-14-6-5-11(9-13(10)14)22-25(2,23)24/h3-9,22H,1-2H3,(H,18,20,21)
InChIKeySHGPLFLHBRXHCH-UHFFFAOYSA-N
XLogP2.85
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
N-(2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
CID 53309974
N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide
CID 170504249
N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide
CID 110868117
N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide
CID 58960364
3-(methanesulfonamido)benzoic acid;2-methylpyridine
CID 174337285
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
CID 143179270
3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 141182116
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide
CID 1264811
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
CID 75442539
N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide
CID 121378090
3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 91667303

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide (CID 170504939) is N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide is Cc1cc(-c2[nH]nc3ncccc23)nc2ccc(NS(C)(=O)=O)cc12.
What is the InChIKey of N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide?
The InChIKey is SHGPLFLHBRXHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-10-8-15(16-12-4-3-7-18-17(12)21-20-16)19-14-6-5-11(9-13(10)14)22-25(2,23)24/h3-9,22H,1-2H3,(H,18,20,21).
What are the key properties of N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide?
N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 170504939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).