1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol

C20H25N5O2S — CID 134128141

IUPAC1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1cc(-c2cccs2)nc1CCC1=NC2C=CC=C(C)N2N1
InChIInChI=1S/C20H25N5O2S/c1-14-5-3-7-20-22-18(23-25(14)20)8-9-19-21-16(17-6-4-10-28-17)12-24(19)11-15(26)13-27-2/h3-7,10,12,15,20,26H,8-9,11,13H2,1-2H3,(H,22,23)
InChIKeyXNHSQYSAWIKXNZ-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.57
Rot. Bonds8

About 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol

1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol (PubChem CID 134128141) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
PubChem CID134128141
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1cc(-c2cccs2)nc1CCC1=NC2C=CC=C(C)N2N1
InChIInChI=1S/C20H25N5O2S/c1-14-5-3-7-20-22-18(23-25(14)20)8-9-19-21-16(17-6-4-10-28-17)12-24(19)11-15(26)13-27-2/h3-7,10,12,15,20,26H,8-9,11,13H2,1-2H3,(H,22,23)
InChIKeyXNHSQYSAWIKXNZ-UHFFFAOYSA-N
XLogP2.57
TPSA74.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol (CID 134128141) is 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol is COCC(O)Cn1cc(-c2cccs2)nc1CCC1=NC2C=CC=C(C)N2N1.
What is the InChIKey of 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
The InChIKey is XNHSQYSAWIKXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14-5-3-7-20-22-18(23-25(14)20)8-9-19-21-16(17-6-4-10-28-17)12-24(19)11-15(26)13-27-2/h3-7,10,12,15,20,26H,8-9,11,13H2,1-2H3,(H,22,23).
What are the key properties of 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol has a molecular weight of 399.52 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 134128141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).