(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

C15H22N6O — CID 165425162

IUPAC(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCc1nc(N2C[C@@H]3COC[C@H](C2)N(C)C3)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-10-17-14-13(4-16-20(14)3)15(18-10)21-6-11-5-19(2)12(7-21)9-22-8-11/h4,11-12H,5-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyGYJZXVVDLFBRBJ-NEPJUHHUSA-N
MW302.38 g/mol
LogP0.44
Rot. Bonds1

About (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (PubChem CID 165425162) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
PubChem CID165425162
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
SMILESCc1nc(N2C[C@@H]3COC[C@H](C2)N(C)C3)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-10-17-14-13(4-16-20(14)3)15(18-10)21-6-11-5-19(2)12(7-21)9-22-8-11/h4,11-12H,5-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyGYJZXVVDLFBRBJ-NEPJUHHUSA-N
XLogP0.44
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane 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 (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The IUPAC name of (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane (CID 165425162) is (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is Cc1nc(N2C[C@@H]3COC[C@H](C2)N(C)C3)c2cnn(C)c2n1.
What is the InChIKey of (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
The InChIKey is GYJZXVVDLFBRBJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-17-14-13(4-16-20(14)3)15(18-10)21-6-11-5-19(2)12(7-21)9-22-8-11/h4,11-12H,5-9H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane?
(1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane has a molecular weight of 302.38 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 165425162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).