4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine

C22H24N8O — CID 122536022

IUPAC4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCc1[nH]nc2ncc(-c3nc(N4CC5CC4C5)c4nc5n(c4n3)CCOC5(C)C)cc12
InChIInChI=1S/C22H24N8O/c1-11-15-8-13(9-23-18(15)28-27-11)17-25-19-16(20(26-17)30-10-12-6-14(30)7-12)24-21-22(2,3)31-5-4-29(19)21/h8-9,12,14H,4-7,10H2,1-3H3,(H,23,27,28)
InChIKeyAVMRYPKMSMWCAA-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.94
Rot. Bonds2

About 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine

4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine (PubChem CID 122536022) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
PubChem CID122536022
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCc1[nH]nc2ncc(-c3nc(N4CC5CC4C5)c4nc5n(c4n3)CCOC5(C)C)cc12
InChIInChI=1S/C22H24N8O/c1-11-15-8-13(9-23-18(15)28-27-11)17-25-19-16(20(26-17)30-10-12-6-14(30)7-12)24-21-22(2,3)31-5-4-29(19)21/h8-9,12,14H,4-7,10H2,1-3H3,(H,23,27,28)
InChIKeyAVMRYPKMSMWCAA-UHFFFAOYSA-N
XLogP2.94
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine 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 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine?
The IUPAC name of 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine (CID 122536022) is 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine.
What is the SMILES notation for 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine?
The canonical SMILES for 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine is Cc1[nH]nc2ncc(-c3nc(N4CC5CC4C5)c4nc5n(c4n3)CCOC5(C)C)cc12.
What is the InChIKey of 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine?
The InChIKey is AVMRYPKMSMWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-11-15-8-13(9-23-18(15)28-27-11)17-25-19-16(20(26-17)30-10-12-6-14(30)7-12)24-21-22(2,3)31-5-4-29(19)21/h8-9,12,14H,4-7,10H2,1-3H3,(H,23,27,28).
What are the key properties of 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine?
4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine has a molecular weight of 416.49 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 122536022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).