2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

C17H22N4O — CID 110118573

IUPAC2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cc2nccc(C3CCN(C(=O)CC4CC4)CC3)n2n1
InChIInChI=1S/C17H22N4O/c1-12-10-16-18-7-4-15(21(16)19-12)14-5-8-20(9-6-14)17(22)11-13-2-3-13/h4,7,10,13-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyMAEQJXYHCWUDBT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.54
Rot. Bonds3

About 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (PubChem CID 110118573) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
PubChem CID110118573
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cc2nccc(C3CCN(C(=O)CC4CC4)CC3)n2n1
InChIInChI=1S/C17H22N4O/c1-12-10-16-18-7-4-15(21(16)19-12)14-5-8-20(9-6-14)17(22)11-13-2-3-13/h4,7,10,13-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyMAEQJXYHCWUDBT-UHFFFAOYSA-N
XLogP2.54
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 110118569
[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110118556
2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 110214220
2-methyl-7-(1-pyrazin-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 110118540
4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 155986862
7-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 110118552
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
CID 98066069
3-cyclopentyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)propan-1-one
CID 110091222
1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 92555828
7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 7029195
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (CID 110118573) is 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is Cc1cc2nccc(C3CCN(C(=O)CC4CC4)CC3)n2n1.
What is the InChIKey of 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The InChIKey is MAEQJXYHCWUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-10-16-18-7-4-15(21(16)19-12)14-5-8-20(9-6-14)17(22)11-13-2-3-13/h4,7,10,13-14H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110118573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).