1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride

C17H23ClN6O — CID 118741682

IUPAC1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)CC2)c1C.Cl
InChIInChI=1S/C17H22N6O.ClH/c1-11-12(2)19-15-10-14(16-18-6-9-21(16)3)20-23(15)17(11)22-7-4-13(24)5-8-22;/h6,9-10,13,24H,4-5,7-8H2,1-3H3;1H
InChIKeyPTVFONKZZDCKET-UHFFFAOYSA-N
MW362.87 g/mol
LogP2.13
Rot. Bonds2

About 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride

1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride (PubChem CID 118741682) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride
PubChem CID118741682
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC Name1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)CC2)c1C.Cl
InChIInChI=1S/C17H22N6O.ClH/c1-11-12(2)19-15-10-14(16-18-6-9-21(16)3)20-23(15)17(11)22-7-4-13(24)5-8-22;/h6,9-10,13,24H,4-5,7-8H2,1-3H3;1H
InChIKeyPTVFONKZZDCKET-UHFFFAOYSA-N
XLogP2.13
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride?
The IUPAC name of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride (CID 118741682) is 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride is Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(O)CC2)c1C.Cl.
What is the InChIKey of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride?
The InChIKey is PTVFONKZZDCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O.ClH/c1-11-12(2)19-15-10-14(16-18-6-9-21(16)3)20-23(15)17(11)22-7-4-13(24)5-8-22;/h6,9-10,13,24H,4-5,7-8H2,1-3H3;1H.
What are the key properties of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride?
1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride has a molecular weight of 362.87 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 118741682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).