(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

C19H20ClN5OS — CID 67257360

IUPAC(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
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CCl)nn12
InChIInChI=1S/C19H20ClN5OS/c1-13-4-2-6-19-22-17(23-25(13)19)7-8-18-21-15(16-5-3-9-27-16)12-24(18)11-14(26)10-20/h2-6,9,12,14,26H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyHGLIKLBTAKSLQK-AWEZNQCLSA-N
MW401.92 g/mol
LogP3.35
Rot. Bonds7

About (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

(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 (PubChem CID 67257360) has the molecular formula C19H20ClN5OS and a molecular weight of 401.92 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID67257360
Molecular FormulaC19H20ClN5OS
Molecular Weight401.92 g/mol
Exact Mass401.11
IUPAC Name(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
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CCl)nn12
InChIInChI=1S/C19H20ClN5OS/c1-13-4-2-6-19-22-17(23-25(13)19)7-8-18-21-15(16-5-3-9-27-16)12-24(18)11-14(26)10-20/h2-6,9,12,14,26H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyHGLIKLBTAKSLQK-AWEZNQCLSA-N
XLogP3.35
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(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
(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
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-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921
5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80528351
1-chloro-3-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]propan-2-ol
CID 168640126
5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53251780
ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 143439241
N-methyl-2-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-2-yl)ethanamine
CID 116821619
3-propyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035811
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CCl)nn12.
What is the InChIKey of (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?
The InChIKey is HGLIKLBTAKSLQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClN5OS/c1-13-4-2-6-19-22-17(23-25(13)19)7-8-18-21-15(16-5-3-9-27-16)12-24(18)11-14(26)10-20/h2-6,9,12,14,26H,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 401.92 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 67257360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).