[2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol

C22H28N4O3 — CID 110212933

IUPAC[2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol
SMILESCOc1ccc(CN2C3CCC2c2cnc(N4CCOCC4)nc2C3)cc1CO
InChIInChI=1S/C22H28N4O3/c1-28-21-5-2-15(10-16(21)14-27)13-26-17-3-4-20(26)18-12-23-22(24-19(18)11-17)25-6-8-29-9-7-25/h2,5,10,12,17,20,27H,3-4,6-9,11,13-14H2,1H3
InChIKeyAUVSKCSTVUMMBU-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.08
Rot. Bonds5

About [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol

[2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol (PubChem CID 110212933) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol
PubChem CID110212933
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name[2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol
SMILESCOc1ccc(CN2C3CCC2c2cnc(N4CCOCC4)nc2C3)cc1CO
InChIInChI=1S/C22H28N4O3/c1-28-21-5-2-15(10-16(21)14-27)13-26-17-3-4-20(26)18-12-23-22(24-19(18)11-17)25-6-8-29-9-7-25/h2,5,10,12,17,20,27H,3-4,6-9,11,13-14H2,1H3
InChIKeyAUVSKCSTVUMMBU-UHFFFAOYSA-N
XLogP2.08
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol 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-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol (CID 110212933) is [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol is COc1ccc(CN2C3CCC2c2cnc(N4CCOCC4)nc2C3)cc1CO.
What is the InChIKey of [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol?
The InChIKey is AUVSKCSTVUMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-28-21-5-2-15(10-16(21)14-27)13-26-17-3-4-20(26)18-12-23-22(24-19(18)11-17)25-6-8-29-9-7-25/h2,5,10,12,17,20,27H,3-4,6-9,11,13-14H2,1H3.
What are the key properties of [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol?
[2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol has a molecular weight of 396.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methyl]phenyl]methanol is sourced from PubChem (CID 110212933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).