(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C15H21N5O — CID 120816495

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1ccn2ncc(C(=O)N3CCC(N)C(C)(C)C3)c2n1
InChIInChI=1S/C15H21N5O/c1-10-4-7-20-13(18-10)11(8-17-20)14(21)19-6-5-12(16)15(2,3)9-19/h4,7-8,12H,5-6,9,16H2,1-3H3
InChIKeyXKYVWIOBXDJUEL-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.24
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 120816495) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID120816495
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1ccn2ncc(C(=O)N3CCC(N)C(C)(C)C3)c2n1
InChIInChI=1S/C15H21N5O/c1-10-4-7-20-13(18-10)11(8-17-20)14(21)19-6-5-12(16)15(2,3)9-19/h4,7-8,12H,5-6,9,16H2,1-3H3
InChIKeyXKYVWIOBXDJUEL-UHFFFAOYSA-N
XLogP1.24
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256608
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 114267680
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]methanone
CID 120817759
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815468
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
1-[[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methyl]imidazolidin-2-one
CID 136566961
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 120815954
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95326216
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95335579

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 120816495) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1ccn2ncc(C(=O)N3CCC(N)C(C)(C)C3)c2n1.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is XKYVWIOBXDJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-4-7-20-13(18-10)11(8-17-20)14(21)19-6-5-12(16)15(2,3)9-19/h4,7-8,12H,5-6,9,16H2,1-3H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 120816495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).