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

C20H23N5O2S — CID 53250192

IUPAC1-methoxy-3-[2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1cc(-c2cccs2)nc1CCc1nc2c(C)cccn2n1
InChIInChI=1S/C20H23N5O2S/c1-14-5-3-9-25-20(14)22-18(23-25)7-8-19-21-16(17-6-4-10-28-17)12-24(19)11-15(26)13-27-2/h3-6,9-10,12,15,26H,7-8,11,13H2,1-2H3
InChIKeyBUARRGHWOOQEGD-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.76
Rot. Bonds8

About 1-methoxy-3-[2-[2-(8-methyl-[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-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol (PubChem CID 53250192) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-methoxy-3-[2-[2-(8-methyl-[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-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
PubChem CID53250192
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name1-methoxy-3-[2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
SMILESCOCC(O)Cn1cc(-c2cccs2)nc1CCc1nc2c(C)cccn2n1
InChIInChI=1S/C20H23N5O2S/c1-14-5-3-9-25-20(14)22-18(23-25)7-8-19-21-16(17-6-4-10-28-17)12-24(19)11-15(26)13-27-2/h3-6,9-10,12,15,26H,7-8,11,13H2,1-2H3
InChIKeyBUARRGHWOOQEGD-UHFFFAOYSA-N
XLogP2.76
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[2-(8-methyl-[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-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol (CID 53250192) is 1-methoxy-3-[2-[2-(8-methyl-[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-(8-methyl-[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-(8-methyl-[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)nc1CCc1nc2c(C)cccn2n1.
What is the InChIKey of 1-methoxy-3-[2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
The InChIKey is BUARRGHWOOQEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14-5-3-9-25-20(14)22-18(23-25)7-8-19-21-16(17-6-4-10-28-17)12-24(19)11-15(26)13-27-2/h3-6,9-10,12,15,26H,7-8,11,13H2,1-2H3.
What are the key properties of 1-methoxy-3-[2-[2-(8-methyl-[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-(8-methyl-[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 397.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[2-(8-methyl-[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 53250192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).