3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C17H24N4O2 — CID 137018670

IUPAC3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCC(C)(C)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H24N4O2/c1-4-17(2,3)15(23)12-10-19-21-13(9-14(22)20-16(12)21)11-5-7-18-8-6-11/h9-11,18H,4-8H2,1-3H3,(H,20,22)
InChIKeyMEAGECIPRUWVNI-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.11
Rot. Bonds4

About 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018670) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018670
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCC(C)(C)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C17H24N4O2/c1-4-17(2,3)15(23)12-10-19-21-13(9-14(22)20-16(12)21)11-5-7-18-8-6-11/h9-11,18H,4-8H2,1-3H3,(H,20,22)
InChIKeyMEAGECIPRUWVNI-UHFFFAOYSA-N
XLogP2.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251710
3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene
CID 145075530
2,2,2-trifluoroethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251800
N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251700
3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025847
5-oxo-N-(4-oxo-1,4-oxathian-4-ylidene)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251852
5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251708
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018323
3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018486
3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018627
tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide
CID 145075487
tert-butyl 4-[3-(methylidenecarbamoyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018335

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018670) is 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCC(C)(C)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MEAGECIPRUWVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-17(2,3)15(23)12-10-19-21-13(9-14(22)20-16(12)21)11-5-7-18-8-6-11/h9-11,18H,4-8H2,1-3H3,(H,20,22).
What are the key properties of 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 316.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).