(2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

C23H28N6OS — CID 67258109

IUPAC(2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN3CCCC3)nn12
InChIInChI=1S/C23H28N6OS/c1-17-6-4-8-23-25-21(26-29(17)23)9-10-22-24-19(20-7-5-13-31-20)16-28(22)15-18(30)14-27-11-2-3-12-27/h4-8,13,16,18,30H,2-3,9-12,14-15H2,1H3/t18-/m0/s1
InChIKeyFZRAMHAFILXIFF-SFHVURJKSA-N
MW436.59 g/mol
LogP3.20
Rot. Bonds8

About (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol

(2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 67258109) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID67258109
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name(2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN3CCCC3)nn12
InChIInChI=1S/C23H28N6OS/c1-17-6-4-8-23-25-21(26-29(17)23)9-10-22-24-19(20-7-5-13-31-20)16-28(22)15-18(30)14-27-11-2-3-12-27/h4-8,13,16,18,30H,2-3,9-12,14-15H2,1H3/t18-/m0/s1
InChIKeyFZRAMHAFILXIFF-SFHVURJKSA-N
XLogP3.20
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol (CID 67258109) is (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN3CCCC3)nn12.
What is the InChIKey of (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is FZRAMHAFILXIFF-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-17-6-4-8-23-25-21(26-29(17)23)9-10-22-24-19(20-7-5-13-31-20)16-28(22)15-18(30)14-27-11-2-3-12-27/h4-8,13,16,18,30H,2-3,9-12,14-15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol?
(2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 436.59 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 67258109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).