1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

C18H28N4O2 — CID 156606937

IUPAC1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOCC1(O)CCN(Cc2cnn3c(C)cc(C)nc23)CC1(C)C
InChIInChI=1S/C18H28N4O2/c1-13-8-14(2)22-16(20-13)15(9-19-22)10-21-7-6-18(23,12-24-5)17(3,4)11-21/h8-9,23H,6-7,10-12H2,1-5H3
InChIKeyMSDLMQGSGMNEGQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.96
Rot. Bonds4

About 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 156606937) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
PubChem CID156606937
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOCC1(O)CCN(Cc2cnn3c(C)cc(C)nc23)CC1(C)C
InChIInChI=1S/C18H28N4O2/c1-13-8-14(2)22-16(20-13)15(9-19-22)10-21-7-6-18(23,12-24-5)17(3,4)11-21/h8-9,23H,6-7,10-12H2,1-5H3
InChIKeyMSDLMQGSGMNEGQ-UHFFFAOYSA-N
XLogP1.96
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-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-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (CID 156606937) is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is COCC1(O)CCN(Cc2cnn3c(C)cc(C)nc23)CC1(C)C.
What is the InChIKey of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is MSDLMQGSGMNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-8-14(2)22-16(20-13)15(9-19-22)10-21-7-6-18(23,12-24-5)17(3,4)11-21/h8-9,23H,6-7,10-12H2,1-5H3.
What are the key properties of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 332.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 156606937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).