N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide

C13H13N5O3S — CID 155564202

IUPACN-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide
SMILESCOc1ncc(-c2ccn3nccc3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H13N5O3S/c1-21-13-11(17-22(2,19)20)7-9(8-14-13)10-4-6-18-12(16-10)3-5-15-18/h3-8,17H,1-2H3
InChIKeyUHHXNKYPVVAPEH-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.17
Rot. Bonds4

About N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide

N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide (PubChem CID 155564202) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide
PubChem CID155564202
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC NameN-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide
SMILESCOc1ncc(-c2ccn3nccc3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H13N5O3S/c1-21-13-11(17-22(2,19)20)7-9(8-14-13)10-4-6-18-12(16-10)3-5-15-18/h3-8,17H,1-2H3
InChIKeyUHHXNKYPVVAPEH-UHFFFAOYSA-N
XLogP1.17
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-((3-(6-Methoxypyridin-3-yl)imidazo[1,2-b]pyridazin-6-ylamino)methyl)benzenesulfonamide
CID 44530411
Pyrazolo[1,5-a]-1,3,5-triazine, 13-11
CID 42618217
Pyrazolo[1,5-a]-1,3,5-triazine, 13-12
CID 42618218
Pyrazolo[1,5-a]-1,3,5-triazine, 13-13
CID 42618219
(R)-N-(2-Methoxy-5-(1-methyl-4-((1-(2-(tetrahydro-2H-pyran-4-yl)ethyl)piperidin-3-yl)methoxy)-1H-pyrazolo[3,4-b]pyridin-6-yl)pyridin-3-yl)methanesulfonamide
CID 138319687
N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
CID 145984743
6-Methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 162650276
6-methoxy-3-(2-methoxy-4-pyridinyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 162653193
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 655783
N-[4-[(E)-[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenyl]methanesulfonamide
CID 9604956
5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186181
N-[6-(6-amino-5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251922

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide?
The IUPAC name of N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide (CID 155564202) is N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide is COc1ncc(-c2ccn3nccc3n2)cc1NS(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide?
The InChIKey is UHHXNKYPVVAPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c1-21-13-11(17-22(2,19)20)7-9(8-14-13)10-4-6-18-12(16-10)3-5-15-18/h3-8,17H,1-2H3.
What are the key properties of N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide?
N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide has a molecular weight of 319.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pyrazolo[1,5-a]pyrimidin-5-yl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 155564202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).