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

C23H28N6O2S — CID 67259929

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-morpholin-4-ylpropan-2-ol
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN3CCOCC3)nn12
InChIInChI=1S/C23H28N6O2S/c1-17-4-2-6-23-25-21(26-29(17)23)7-8-22-24-19(20-5-3-13-32-20)16-28(22)15-18(30)14-27-9-11-31-12-10-27/h2-6,13,16,18,30H,7-12,14-15H2,1H3/t18-/m0/s1
InChIKeyDVNGANNMDBGMIS-SFHVURJKSA-N
MW452.58 g/mol
LogP2.44
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-morpholin-4-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-morpholin-4-ylpropan-2-ol (PubChem CID 67259929) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 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-morpholin-4-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-morpholin-4-ylpropan-2-ol
PubChem CID67259929
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
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-morpholin-4-ylpropan-2-ol
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN3CCOCC3)nn12
InChIInChI=1S/C23H28N6O2S/c1-17-4-2-6-23-25-21(26-29(17)23)7-8-22-24-19(20-5-3-13-32-20)16-28(22)15-18(30)14-27-9-11-31-12-10-27/h2-6,13,16,18,30H,7-12,14-15H2,1H3/t18-/m0/s1
InChIKeyDVNGANNMDBGMIS-SFHVURJKSA-N
XLogP2.44
TPSA80.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2R)-1-chloro-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
CID 67257360
(2S)-4-(methylamino)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]butan-2-ol
CID 67259161
5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
2-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1253037
1-(2-methylimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 109411165
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol
CID 117240417
ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 143439241
1-[(6-methyl-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 10966962
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239

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-morpholin-4-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-morpholin-4-ylpropan-2-ol (CID 67259929) 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-morpholin-4-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-morpholin-4-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-morpholin-4-ylpropan-2-ol is Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN3CCOCC3)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-morpholin-4-ylpropan-2-ol?
The InChIKey is DVNGANNMDBGMIS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-17-4-2-6-23-25-21(26-29(17)23)7-8-22-24-19(20-5-3-13-32-20)16-28(22)15-18(30)14-27-9-11-31-12-10-27/h2-6,13,16,18,30H,7-12,14-15H2,1H3/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-morpholin-4-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-morpholin-4-ylpropan-2-ol has a molecular weight of 452.58 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 67259929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).