N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide

C15H21N5O3S — CID 110118471

IUPACN-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(C2CCCCN2C(=O)CNS(C)(=O)=O)nc2ccnn12
InChIInChI=1S/C15H21N5O3S/c1-11-9-12(18-14-6-7-16-20(11)14)13-5-3-4-8-19(13)15(21)10-17-24(2,22)23/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyLHOBSWOULHIANI-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.64
Rot. Bonds4

About N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 110118471) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID110118471
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(C2CCCCN2C(=O)CNS(C)(=O)=O)nc2ccnn12
InChIInChI=1S/C15H21N5O3S/c1-11-9-12(18-14-6-7-16-20(11)14)13-5-3-4-8-19(13)15(21)10-17-24(2,22)23/h6-7,9,13,17H,3-5,8,10H2,1-2H3
InChIKeyLHOBSWOULHIANI-UHFFFAOYSA-N
XLogP0.64
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone
CID 124972625
1-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124955277
[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124971823
(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 124966464
(6-methoxy-3-pyridinyl)-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 110118495
N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124995253
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898
N-[(4-fluorophenyl)methyl]-6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
CID 110261232
1-[(2R)-2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 95843219
N-[2-[(2R)-2-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 92623221
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801
N-[(2S)-1-[(2S)-2-(5-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-1-oxo-2-phenylpropan-2-yl]methanesulfonamide
CID 58029853

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 110118471) is N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1cc(C2CCCCN2C(=O)CNS(C)(=O)=O)nc2ccnn12.
What is the InChIKey of N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is LHOBSWOULHIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-11-9-12(18-14-6-7-16-20(11)14)13-5-3-4-8-19(13)15(21)10-17-24(2,22)23/h6-7,9,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 110118471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).