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

C19H20N8O2 — CID 122517517

IUPAC1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol
SMILESCC1(C)OCCn2c1nc1c(N3CC(O)C3)nc(-c3cnc4nc[nH]c4c3)nc12
InChIInChI=1S/C19H20N8O2/c1-19(2)18-23-13-16(26-7-11(28)8-26)24-14(25-17(13)27(18)3-4-29-19)10-5-12-15(20-6-10)22-9-21-12/h5-6,9,11,28H,3-4,7-8H2,1-2H3,(H,20,21,22)
InChIKeyMSMNNFIITBMLFJ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.21
Rot. Bonds2

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

1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol (PubChem CID 122517517) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol
PubChem CID122517517
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol
SMILESCC1(C)OCCn2c1nc1c(N3CC(O)C3)nc(-c3cnc4nc[nH]c4c3)nc12
InChIInChI=1S/C19H20N8O2/c1-19(2)18-23-13-16(26-7-11(28)8-26)24-14(25-17(13)27(18)3-4-29-19)10-5-12-15(20-6-10)22-9-21-12/h5-6,9,11,28H,3-4,7-8H2,1-2H3,(H,20,21,22)
InChIKeyMSMNNFIITBMLFJ-UHFFFAOYSA-N
XLogP1.21
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol (CID 122517517) is 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol is CC1(C)OCCn2c1nc1c(N3CC(O)C3)nc(-c3cnc4nc[nH]c4c3)nc12.
What is the InChIKey of 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol?
The InChIKey is MSMNNFIITBMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-19(2)18-23-13-16(26-7-11(28)8-26)24-14(25-17(13)27(18)3-4-29-19)10-5-12-15(20-6-10)22-9-21-12/h5-6,9,11,28H,3-4,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol?
1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol has a molecular weight of 392.42 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidin-3-ol is sourced from PubChem (CID 122517517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).