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

C17H22N6O — CID 110220003

IUPAC1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCCC(O)C2)c1C
InChIInChI=1S/C17H22N6O/c1-11-12(2)19-15-9-14(16-18-6-8-21(16)3)20-23(15)17(11)22-7-4-5-13(24)10-22/h6,8-9,13,24H,4-5,7,10H2,1-3H3
InChIKeyZGAOQKMAKNKUNE-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.71
Rot. Bonds2

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

1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol (PubChem CID 110220003) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
PubChem CID110220003
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
SMILESCc1nc2cc(-c3nccn3C)nn2c(N2CCCC(O)C2)c1C
InChIInChI=1S/C17H22N6O/c1-11-12(2)19-15-9-14(16-18-6-8-21(16)3)20-23(15)17(11)22-7-4-5-13(24)10-22/h6,8-9,13,24H,4-5,7,10H2,1-3H3
InChIKeyZGAOQKMAKNKUNE-UHFFFAOYSA-N
XLogP1.71
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-3-ol?
The IUPAC name of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol (CID 110220003) is 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The canonical SMILES for 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol is Cc1nc2cc(-c3nccn3C)nn2c(N2CCCC(O)C2)c1C.
What is the InChIKey of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The InChIKey is ZGAOQKMAKNKUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-12(2)19-15-9-14(16-18-6-8-21(16)3)20-23(15)17(11)22-7-4-5-13(24)10-22/h6,8-9,13,24H,4-5,7,10H2,1-3H3.
What are the key properties of 1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol has a molecular weight of 326.40 g/mol, XLogP of 1.71, 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-3-ol is sourced from PubChem (CID 110220003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).