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

C24H28N6O — CID 44547517

IUPAC4-[2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine
SMILESCc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nn12
InChIInChI=1S/C24H28N6O/c1-19-6-5-9-24-26-22(27-30(19)24)10-11-23-25-21(20-7-3-2-4-8-20)18-29(23)13-12-28-14-16-31-17-15-28/h2-9,18H,10-17H2,1H3
InChIKeyHSNXIGMNSZNSGS-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.02
Rot. Bonds7

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

4-[2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine (PubChem CID 44547517) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[2-[2-[2-(5-methyl-[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-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine
PubChem CID44547517
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name4-[2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine
SMILESCc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nn12
InChIInChI=1S/C24H28N6O/c1-19-6-5-9-24-26-22(27-30(19)24)10-11-23-25-21(20-7-3-2-4-8-20)18-29(23)13-12-28-14-16-31-17-15-28/h2-9,18H,10-17H2,1H3
InChIKeyHSNXIGMNSZNSGS-UHFFFAOYSA-N
XLogP3.02
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(5-methyl-[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-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine (CID 44547517) is 4-[2-[2-[2-(5-methyl-[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-methyl-[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-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine is Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nn12.
What is the InChIKey of 4-[2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine?
The InChIKey is HSNXIGMNSZNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-19-6-5-9-24-26-22(27-30(19)24)10-11-23-25-21(20-7-3-2-4-8-20)18-29(23)13-12-28-14-16-31-17-15-28/h2-9,18H,10-17H2,1H3.
What are the key properties of 4-[2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine?
4-[2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine has a molecular weight of 416.53 g/mol, XLogP of 3.02, 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-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-phenylimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 44547517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).