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

C21H19F4N7S — CID 53354112

IUPAC8-[2-fluoro-4-(trifluoromethyl)phenyl]-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(Nc3nc4c(-c5ccc(C(F)(F)F)cc5F)cccn4n3)CC2)n1
InChIInChI=1S/C21H19F4N7S/c1-12-26-20(33-30-12)31-9-6-14(7-10-31)27-19-28-18-16(3-2-8-32(18)29-19)15-5-4-13(11-17(15)22)21(23,24)25/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,27,29)
InChIKeyXPUXJCCHNUSVGY-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.80
Rot. Bonds4

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

8-[2-fluoro-4-(trifluoromethyl)phenyl]-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 53354112) has the molecular formula C21H19F4N7S and a molecular weight of 477.49 g/mol. Its IUPAC name is 8-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354112
Molecular FormulaC21H19F4N7S
Molecular Weight477.49 g/mol
Exact Mass477.14
IUPAC Name8-[2-fluoro-4-(trifluoromethyl)phenyl]-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(Nc3nc4c(-c5ccc(C(F)(F)F)cc5F)cccn4n3)CC2)n1
InChIInChI=1S/C21H19F4N7S/c1-12-26-20(33-30-12)31-9-6-14(7-10-31)27-19-28-18-16(3-2-8-32(18)29-19)15-5-4-13(11-17(15)22)21(23,24)25/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,27,29)
InChIKeyXPUXJCCHNUSVGY-UHFFFAOYSA-N
XLogP4.80
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354112) is 8-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-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-[2-fluoro-4-(trifluoromethyl)phenyl]-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(Nc3nc4c(-c5ccc(C(F)(F)F)cc5F)cccn4n3)CC2)n1.
What is the InChIKey of 8-[2-fluoro-4-(trifluoromethyl)phenyl]-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 XPUXJCCHNUSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7S/c1-12-26-20(33-30-12)31-9-6-14(7-10-31)27-19-28-18-16(3-2-8-32(18)29-19)15-5-4-13(11-17(15)22)21(23,24)25/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,27,29).
What are the key properties of 8-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[2-fluoro-4-(trifluoromethyl)phenyl]-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 477.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-fluoro-4-(trifluoromethyl)phenyl]-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 53354112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).