5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine

C15H18N6O2S — CID 124979504

IUPAC5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ccn3nccc3n2)c1
InChIInChI=1S/C15H18N6O2S/c1-19-10-15(16-11-19)24(22,23)21-8-3-2-4-13(21)12-6-9-20-14(18-12)5-7-17-20/h5-7,9-11,13H,2-4,8H2,1H3/t13-/m0/s1
InChIKeyMBVIPCDAYANMCL-ZDUSSCGKSA-N
MW346.42 g/mol
LogP1.38
Rot. Bonds3

About 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine

5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 124979504) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID124979504
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ccn3nccc3n2)c1
InChIInChI=1S/C15H18N6O2S/c1-19-10-15(16-11-19)24(22,23)21-8-3-2-4-13(21)12-6-9-20-14(18-12)5-7-17-20/h5-7,9-11,13H,2-4,8H2,1H3/t13-/m0/s1
InChIKeyMBVIPCDAYANMCL-ZDUSSCGKSA-N
XLogP1.38
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124999522
5-[1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 110118323
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990
2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 125001964
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
CID 92625334
5-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110271194
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 125012750
2-[(3-methoxyphenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818489
2-(2-bromoethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80671908

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 124979504) is 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine is Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ccn3nccc3n2)c1.
What is the InChIKey of 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is MBVIPCDAYANMCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-19-10-15(16-11-19)24(22,23)21-8-3-2-4-13(21)12-6-9-20-14(18-12)5-7-17-20/h5-7,9-11,13H,2-4,8H2,1H3/t13-/m0/s1.
What are the key properties of 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 346.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 124979504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).