1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one

C18H26N4O — CID 92585275

IUPAC1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@H]1c1ccnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C18H26N4O/c1-5-17(23)21-11-7-6-8-13(21)14-9-10-19-16-12-15(18(2,3)4)20-22(14)16/h9-10,12-13H,5-8,11H2,1-4H3/t13-/m0/s1
InChIKeyJUKRAKYVPKYZED-ZDUSSCGKSA-N
MW314.43 g/mol
LogP3.49
Rot. Bonds2

About 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one

1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one (PubChem CID 92585275) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
PubChem CID92585275
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@H]1c1ccnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C18H26N4O/c1-5-17(23)21-11-7-6-8-13(21)14-9-10-19-16-12-15(18(2,3)4)20-22(14)16/h9-10,12-13H,5-8,11H2,1-4H3/t13-/m0/s1
InChIKeyJUKRAKYVPKYZED-ZDUSSCGKSA-N
XLogP3.49
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110218887
1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 92555828
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92555819
1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 73439064
2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 110218904
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
2-(4-ethoxyphenyl)-1-[(2R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92593704
2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92560694
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
CID 110218897
7-[(2S)-1-[2-(azepan-1-yl)acetyl]piperidin-2-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124984962

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one (CID 92585275) is 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC[C@H]1c1ccnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JUKRAKYVPKYZED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-17(23)21-11-7-6-8-13(21)14-9-10-19-16-12-15(18(2,3)4)20-22(14)16/h9-10,12-13H,5-8,11H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one has a molecular weight of 314.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92585275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).