(2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone

C20H28N6O2 — CID 77453009

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone
SMILESCC1CN(C(=O)C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)CC(C)O1
InChIInChI=1S/C20H28N6O2/c1-13-9-25(10-14(2)28-13)20(27)15-11-24(12-15)19-16-3-6-21-7-4-17(16)23-18-5-8-22-26(18)19/h5,8,13-15,21H,3-4,6-7,9-12H2,1-2H3
InChIKeySHXDOAGJCUNMQF-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.49
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone (PubChem CID 77453009) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone
PubChem CID77453009
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone
SMILESCC1CN(C(=O)C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)CC(C)O1
InChIInChI=1S/C20H28N6O2/c1-13-9-25(10-14(2)28-13)20(27)15-11-24(12-15)19-16-3-6-21-7-4-17(16)23-18-5-8-22-26(18)19/h5,8,13-15,21H,3-4,6-7,9-12H2,1-2H3
InChIKeySHXDOAGJCUNMQF-UHFFFAOYSA-N
XLogP0.49
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone 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 (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone (CID 77453009) is (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone is CC1CN(C(=O)C2CN(c3c4c(nc5ccnn35)CCNCC4)C2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone?
The InChIKey is SHXDOAGJCUNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-13-9-25(10-14(2)28-13)20(27)15-11-24(12-15)19-16-3-6-21-7-4-17(16)23-18-5-8-22-26(18)19/h5,8,13-15,21H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 77453009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).