3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine

C20H21FN4OS — CID 71520427

IUPAC3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
SMILESCc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1F
InChIInChI=1S/C20H21FN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3
InChIKeyPTQCWTSUBMXETB-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.72
Rot. Bonds6

About 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine

3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine (PubChem CID 71520427) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
PubChem CID71520427
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
SMILESCc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1F
InChIInChI=1S/C20H21FN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3
InChIKeyPTQCWTSUBMXETB-UHFFFAOYSA-N
XLogP4.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

Nms-873
CID 71521142
4-(4-Ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 936091
4-(((4-(4-Ethoxy-PH)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzonitrile
CID 662145
2-((4-(4-Ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 1418060
3-[(3-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 936130
6-(4-methoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 663229
3-[4-(2-Methoxy-phenyl)-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-propionic acid ethyl ester
CID 651394
2-[[4-(2-Ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3244328
2-methoxy-5-(3-(methoxymethyl)-5-(4-(o-tolyloxy)piperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 11502419
5-(3-(4-(4-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11538526
5-(3-(4-(3-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11618185
5-(3-(3-(4-fluoro-2-methylphenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11667812

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine (CID 71520427) is 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine is Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1F.
What is the InChIKey of 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
The InChIKey is PTQCWTSUBMXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-14-11-16(8-9-18(14)21)26-13-19-23-24-20(27-17-6-2-3-7-17)25(19)15-5-4-10-22-12-15/h4-5,8-12,17H,2-3,6-7,13H2,1H3.
What are the key properties of 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine?
3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine has a molecular weight of 384.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopentylsulfanyl-5-[(4-fluoro-3-methylphenoxy)methyl]-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 71520427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).