4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine

C23H28N6O2S — CID 53234600

IUPAC4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine
SMILESCOc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc12
InChIInChI=1S/C23H28N6O2S/c1-17-5-6-19(30-2)23-25-21(26-29(17)23)7-8-22-24-18(20-4-3-15-32-20)16-28(22)10-9-27-11-13-31-14-12-27/h3-6,15-16H,7-14H2,1-2H3
InChIKeyYGXBTIKYTPXJGT-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.09
Rot. Bonds8

About 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine

4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine (PubChem CID 53234600) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine
PubChem CID53234600
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine
SMILESCOc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc12
InChIInChI=1S/C23H28N6O2S/c1-17-5-6-19(30-2)23-25-21(26-29(17)23)7-8-22-24-18(20-4-3-15-32-20)16-28(22)10-9-27-11-13-31-14-12-27/h3-6,15-16H,7-14H2,1-2H3
InChIKeyYGXBTIKYTPXJGT-UHFFFAOYSA-N
XLogP3.09
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine (CID 53234600) is 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine is COc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc12.
What is the InChIKey of 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
The InChIKey is YGXBTIKYTPXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-17-5-6-19(30-2)23-25-21(26-29(17)23)7-8-22-24-18(20-4-3-15-32-20)16-28(22)10-9-27-11-13-31-14-12-27/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine?
4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine has a molecular weight of 452.58 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 53234600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).