4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine

C25H30N6O — CID 44547516

IUPAC4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2c1
InChIInChI=1S/C25H30N6O/c1-19-16-20(2)31-25(17-19)27-23(28-31)8-9-24-26-22(21-6-4-3-5-7-21)18-30(24)11-10-29-12-14-32-15-13-29/h3-7,16-18H,8-15H2,1-2H3
InChIKeyOCNCCLXEESCLDF-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.33
Rot. Bonds7

About 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine

4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine (PubChem CID 44547516) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine
PubChem CID44547516
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2c1
InChIInChI=1S/C25H30N6O/c1-19-16-20(2)31-25(17-19)27-23(28-31)8-9-24-26-22(21-6-4-3-5-7-21)18-30(24)11-10-29-12-14-32-15-13-29/h3-7,16-18H,8-15H2,1-2H3
InChIKeyOCNCCLXEESCLDF-UHFFFAOYSA-N
XLogP3.33
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine 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-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine (CID 44547516) is 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine is Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2c1.
What is the InChIKey of 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine?
The InChIKey is OCNCCLXEESCLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-19-16-20(2)31-25(17-19)27-23(28-31)8-9-24-26-22(21-6-4-3-5-7-21)18-30(24)11-10-29-12-14-32-15-13-29/h3-7,16-18H,8-15H2,1-2H3.
What are the key properties of 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine?
4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine has a molecular weight of 430.56 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 44547516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).