1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol

C18H22N8O2 — CID 90805892

IUPAC1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol
SMILESCC(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CC4COC(C4)C3)nc21
InChIInChI=1S/C18H22N8O2/c1-10(27)6-26-16-14(5-22-26)15(12-3-20-17(19)21-4-12)23-18(24-16)25-7-11-2-13(8-25)28-9-11/h3-5,10-11,13,27H,2,6-9H2,1H3,(H2,19,20,21)
InChIKeyIZQQOSOREZKRBT-UHFFFAOYSA-N
MW382.43 g/mol
LogP0.47
Rot. Bonds4

About 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol

1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol (PubChem CID 90805892) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol
PubChem CID90805892
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol
SMILESCC(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CC4COC(C4)C3)nc21
InChIInChI=1S/C18H22N8O2/c1-10(27)6-26-16-14(5-22-26)15(12-3-20-17(19)21-4-12)23-18(24-16)25-7-11-2-13(8-25)28-9-11/h3-5,10-11,13,27H,2,6-9H2,1H3,(H2,19,20,21)
InChIKeyIZQQOSOREZKRBT-UHFFFAOYSA-N
XLogP0.47
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea
CID 46232644
1-[3-[[4-Amino-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 145982758
3-[[4-Amino-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidine-1-carbonitrile
CID 145983289
3-[3-[[4-Amino-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile
CID 145983548
3-[4-Amino-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonitrile
CID 145983552
4-[4-Amino-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonitrile
CID 145984569
1-[3-[[4-Amino-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 145985120
4-[[4-Amino-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidine-1-carbonitrile
CID 145983360
US10131675, Example 113
CID 122517544
1,3-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 70720170
(2R,3R,4S,5R)-2-[4-amino-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 164623854
[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 95863204

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol (CID 90805892) is 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol is CC(O)Cn1ncc2c(-c3cnc(N)nc3)nc(N3CC4COC(C4)C3)nc21.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol?
The InChIKey is IZQQOSOREZKRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-10(27)6-26-16-14(5-22-26)15(12-3-20-17(19)21-4-12)23-18(24-16)25-7-11-2-13(8-25)28-9-11/h3-5,10-11,13,27H,2,6-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol?
1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol has a molecular weight of 382.43 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)-6-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-ol is sourced from PubChem (CID 90805892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).