5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

C13H19ClN4O — CID 66624816

IUPAC5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1nc2cc([C@@H]3CCCCN3)[nH]n2c(=O)c1C.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-8-9(2)15-12-7-11(16-17(12)13(8)18)10-5-3-4-6-14-10;/h7,10,14,16H,3-6H2,1-2H3;1H/t10-;/m0./s1
InChIKeyALRQEDXEHGQERA-PPHPATTJSA-N
MW282.77 g/mol
LogP1.88
Rot. Bonds1

About 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 66624816) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID66624816
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1nc2cc([C@@H]3CCCCN3)[nH]n2c(=O)c1C.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-8-9(2)15-12-7-11(16-17(12)13(8)18)10-5-3-4-6-14-10;/h7,10,14,16H,3-6H2,1-2H3;1H/t10-;/m0./s1
InChIKeyALRQEDXEHGQERA-PPHPATTJSA-N
XLogP1.88
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 66624816) is 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cc1nc2cc([C@@H]3CCCCN3)[nH]n2c(=O)c1C.Cl.
What is the InChIKey of 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is ALRQEDXEHGQERA-PPHPATTJSA-N. The full InChI is InChI=1S/C13H18N4O.ClH/c1-8-9(2)15-12-7-11(16-17(12)13(8)18)10-5-3-4-6-14-10;/h7,10,14,16H,3-6H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 66624816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).