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

C16H20N6 — CID 124999522

IUPAC5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCn1cnc(CN2CCCC[C@H]2c2ccn3nccc3n2)c1
InChIInChI=1S/C16H20N6/c1-20-10-13(17-12-20)11-21-8-3-2-4-15(21)14-6-9-22-16(19-14)5-7-18-22/h5-7,9-10,12,15H,2-4,8,11H2,1H3/t15-/m0/s1
InChIKeyRPKBFSRNDCFCJP-HNNXBMFYSA-N
MW296.38 g/mol
LogP2.19
Rot. Bonds3

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

5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 124999522) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID124999522
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCn1cnc(CN2CCCC[C@H]2c2ccn3nccc3n2)c1
InChIInChI=1S/C16H20N6/c1-20-10-13(17-12-20)11-21-8-3-2-4-15(21)14-6-9-22-16(19-14)5-7-18-22/h5-7,9-10,12,15H,2-4,8,11H2,1H3/t15-/m0/s1
InChIKeyRPKBFSRNDCFCJP-HNNXBMFYSA-N
XLogP2.19
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 110118323
5-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 125014658
2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118311
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124979504
6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124986410
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
7-methyl-2-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 124751830
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125004350
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 124999522) is 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is Cn1cnc(CN2CCCC[C@H]2c2ccn3nccc3n2)c1.
What is the InChIKey of 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is RPKBFSRNDCFCJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N6/c1-20-10-13(17-12-20)11-21-8-3-2-4-15(21)14-6-9-22-16(19-14)5-7-18-22/h5-7,9-10,12,15H,2-4,8,11H2,1H3/t15-/m0/s1.
What are the key properties of 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine?
5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 296.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 124999522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).