5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H20FN7S — CID 53354634

IUPAC5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4cccc(-c5ccc(F)cc5)n4n3)CC2)n1
InChIInChI=1S/C20H20FN7S/c1-13-22-20(29-26-13)27-11-9-16(10-12-27)23-19-24-18-4-2-3-17(28(18)25-19)14-5-7-15(21)8-6-14/h2-8,16H,9-12H2,1H3,(H,23,25)
InChIKeyIJJKKRZLQOJMGK-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.78
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53354634) has the molecular formula C20H20FN7S and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354634
Molecular FormulaC20H20FN7S
Molecular Weight409.49 g/mol
Exact Mass409.15
IUPAC Name5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4cccc(-c5ccc(F)cc5)n4n3)CC2)n1
InChIInChI=1S/C20H20FN7S/c1-13-22-20(29-26-13)27-11-9-16(10-12-27)23-19-24-18-4-2-3-17(28(18)25-19)14-5-7-15(21)8-6-14/h2-8,16H,9-12H2,1H3,(H,23,25)
InChIKeyIJJKKRZLQOJMGK-UHFFFAOYSA-N
XLogP3.78
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354634) is 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2CCC(Nc3nc4cccc(-c5ccc(F)cc5)n4n3)CC2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IJJKKRZLQOJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7S/c1-13-22-20(29-26-13)27-11-9-16(10-12-27)23-19-24-18-4-2-3-17(28(18)25-19)14-5-7-15(21)8-6-14/h2-8,16H,9-12H2,1H3,(H,23,25).
What are the key properties of 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 409.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53354634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).