8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H24FN7OS — CID 67342673

IUPAC8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC(c1ccc(F)cc1)c1cccn2nc(NC3CCN(c4nc(C)ns4)CC3)nc12
InChIInChI=1S/C22H24FN7OS/c1-14-24-22(32-28-14)29-12-9-17(10-13-29)25-21-26-20-18(4-3-11-30(20)27-21)19(31-2)15-5-7-16(23)8-6-15/h3-8,11,17,19H,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyLQBITSHFMHULLZ-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.85
Rot. Bonds6

About 8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[(4-fluorophenyl)-methoxymethyl]-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 67342673) has the molecular formula C22H24FN7OS and a molecular weight of 453.55 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)-methoxymethyl]-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 Name8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67342673
Molecular FormulaC22H24FN7OS
Molecular Weight453.55 g/mol
Exact Mass453.17
IUPAC Name8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC(c1ccc(F)cc1)c1cccn2nc(NC3CCN(c4nc(C)ns4)CC3)nc12
InChIInChI=1S/C22H24FN7OS/c1-14-24-22(32-28-14)29-12-9-17(10-13-29)25-21-26-20-18(4-3-11-30(20)27-21)19(31-2)15-5-7-16(23)8-6-15/h3-8,11,17,19H,9-10,12-13H2,1-2H3,(H,25,27)
InChIKeyLQBITSHFMHULLZ-UHFFFAOYSA-N
XLogP3.85
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)-methoxymethyl]-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 8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67342673) is 8-[(4-fluorophenyl)-methoxymethyl]-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 8-[(4-fluorophenyl)-methoxymethyl]-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 8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COC(c1ccc(F)cc1)c1cccn2nc(NC3CCN(c4nc(C)ns4)CC3)nc12.
What is the InChIKey of 8-[(4-fluorophenyl)-methoxymethyl]-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 LQBITSHFMHULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7OS/c1-14-24-22(32-28-14)29-12-9-17(10-13-29)25-21-26-20-18(4-3-11-30(20)27-21)19(31-2)15-5-7-16(23)8-6-15/h3-8,11,17,19H,9-10,12-13H2,1-2H3,(H,25,27).
What are the key properties of 8-[(4-fluorophenyl)-methoxymethyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[(4-fluorophenyl)-methoxymethyl]-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 453.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)-methoxymethyl]-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 67342673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).