2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine

C20H22N8O2 — CID 122517554

IUPAC2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCOC1CN(c2nc(-c3cnc4nc[nH]c4c3)nc3c2nc2n3CCOC2(C)C)C1
InChIInChI=1S/C20H22N8O2/c1-20(2)19-24-14-17(27-8-12(9-27)29-3)25-15(26-18(14)28(19)4-5-30-20)11-6-13-16(21-7-11)23-10-22-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,21,22,23)
InChIKeyCYSWPTMQKZIUOA-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.86
Rot. Bonds3

About 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine

2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine (PubChem CID 122517554) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine
PubChem CID122517554
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine
SMILESCOC1CN(c2nc(-c3cnc4nc[nH]c4c3)nc3c2nc2n3CCOC2(C)C)C1
InChIInChI=1S/C20H22N8O2/c1-20(2)19-24-14-17(27-8-12(9-27)29-3)25-15(26-18(14)28(19)4-5-30-20)11-6-13-16(21-7-11)23-10-22-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,21,22,23)
InChIKeyCYSWPTMQKZIUOA-UHFFFAOYSA-N
XLogP1.86
TPSA106.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine (CID 122517554) is 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine is COC1CN(c2nc(-c3cnc4nc[nH]c4c3)nc3c2nc2n3CCOC2(C)C)C1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
The InChIKey is CYSWPTMQKZIUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-20(2)19-24-14-17(27-8-12(9-27)29-3)25-15(26-18(14)28(19)4-5-30-20)11-6-13-16(21-7-11)23-10-22-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine?
2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine has a molecular weight of 406.45 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-6-yl)-4-(3-methoxyazetidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 122517554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).