(2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

C21H23FN4O3S — CID 39972780

IUPAC(2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@H]1CCCO1)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3S/c22-16-3-5-17(6-4-16)26-20(15-7-9-23-10-8-15)24-25-21(26)30-14-18(27)12-28-13-19-2-1-11-29-19/h3-10,18-19,27H,1-2,11-14H2/t18-,19-/m1/s1
InChIKeyPYMIDKUGDTUOQI-RTBURBONSA-N
MW430.51 g/mol
LogP3.12
Rot. Bonds9

About (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol

(2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (PubChem CID 39972780) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID39972780
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name(2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@H]1CCCO1)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3S/c22-16-3-5-17(6-4-16)26-20(15-7-9-23-10-8-15)24-25-21(26)30-14-18(27)12-28-13-19-2-1-11-29-19/h3-10,18-19,27H,1-2,11-14H2/t18-,19-/m1/s1
InChIKeyPYMIDKUGDTUOQI-RTBURBONSA-N
XLogP3.12
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2409335
(2S)-1-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 39972751
1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16514070
(2R)-N-(cyclohexylmethyl)-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40795786
4-[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pyridine
CID 40757100
N,N-diethyl-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1154337
1-(1-adamantyl)-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16513967
2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 17457233
4-(4-ethoxyphenyl)-3-(4-methylphenyl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazole
CID 2039668
1-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methylpropoxy)propan-2-ol
CID 112796227
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 16514010

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol (CID 39972780) is (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is O[C@H](COC[C@H]1CCCO1)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is PYMIDKUGDTUOQI-RTBURBONSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c22-16-3-5-17(6-4-16)26-20(15-7-9-23-10-8-15)24-25-21(26)30-14-18(27)12-28-13-19-2-1-11-29-19/h3-10,18-19,27H,1-2,11-14H2/t18-,19-/m1/s1.
What are the key properties of (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol?
(2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol has a molecular weight of 430.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 39972780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).