(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C16H22N4O — CID 42952771

IUPAC(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2ncc(C(=O)N3CC(C)CC(C)C3)c2n1
InChIInChI=1S/C16H22N4O/c1-10-5-11(2)9-19(8-10)16(21)14-7-17-20-13(4)6-12(3)18-15(14)20/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyMOTMGGVENNLQHK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 42952771) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID42952771
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2ncc(C(=O)N3CC(C)CC(C)C3)c2n1
InChIInChI=1S/C16H22N4O/c1-10-5-11(2)9-19(8-10)16(21)14-7-17-20-13(4)6-12(3)18-15(14)20/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyMOTMGGVENNLQHK-UHFFFAOYSA-N
XLogP2.46
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 42952771) is (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1cc(C)n2ncc(C(=O)N3CC(C)CC(C)C3)c2n1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is MOTMGGVENNLQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-5-11(2)9-19(8-10)16(21)14-7-17-20-13(4)6-12(3)18-15(14)20/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 42952771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).