2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C19H18FN5S — CID 44546754

IUPAC2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(SCc3nc(-c4ccc(F)cc4)cn3C)nc2c1
InChIInChI=1S/C19H18FN5S/c1-12-8-13(2)25-17(9-12)22-19(23-25)26-11-18-21-16(10-24(18)3)14-4-6-15(20)7-5-14/h4-10H,11H2,1-3H3
InChIKeyBQCQGORETGJNHC-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.18
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44546754) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44546754
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(SCc3nc(-c4ccc(F)cc4)cn3C)nc2c1
InChIInChI=1S/C19H18FN5S/c1-12-8-13(2)25-17(9-12)22-19(23-25)26-11-18-21-16(10-24(18)3)14-4-6-15(20)7-5-14/h4-10H,11H2,1-3H3
InChIKeyBQCQGORETGJNHC-UHFFFAOYSA-N
XLogP4.18
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 44546754) is 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C)n2nc(SCc3nc(-c4ccc(F)cc4)cn3C)nc2c1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BQCQGORETGJNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c1-12-8-13(2)25-17(9-12)22-19(23-25)26-11-18-21-16(10-24(18)3)14-4-6-15(20)7-5-14/h4-10H,11H2,1-3H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 367.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44546754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).