[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol

C18H24N6O — CID 95800018

IUPAC[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCC[C@H](CO)C2)c1C
InChIInChI=1S/C18H24N6O/c1-12-13(2)20-16-9-15(17-19-6-8-22(17)3)21-24(16)18(12)23-7-4-5-14(10-23)11-25/h6,8-9,14,25H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyKXFMEESULXOPOE-AWEZNQCLSA-N
MW340.43 g/mol
LogP1.96
Rot. Bonds3

About [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol

[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (PubChem CID 95800018) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
PubChem CID95800018
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCC[C@H](CO)C2)c1C
InChIInChI=1S/C18H24N6O/c1-12-13(2)20-16-9-15(17-19-6-8-22(17)3)21-24(16)18(12)23-7-4-5-14(10-23)11-25/h6,8-9,14,25H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyKXFMEESULXOPOE-AWEZNQCLSA-N
XLogP1.96
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (CID 95800018) is [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is Cc1nc2cc(-c3nccn3C)nn2c(N2CCC[C@H](CO)C2)c1C.
What is the InChIKey of [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The InChIKey is KXFMEESULXOPOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-13(2)20-16-9-15(17-19-6-8-22(17)3)21-24(16)18(12)23-7-4-5-14(10-23)11-25/h6,8-9,14,25H,4-5,7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol has a molecular weight of 340.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 95800018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).