8-(6-fluoro-3-pyridinyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H19FN8S — CID 53354217

IUPAC8-(6-fluoro-3-pyridinyl)-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(F)nc5)cccn4n3)CC2)n1
InChIInChI=1S/C19H19FN8S/c1-12-22-19(29-26-12)27-9-6-14(7-10-27)23-18-24-17-15(3-2-8-28(17)25-18)13-4-5-16(20)21-11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyGEBAGUCZLJEKFZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.17
Rot. Bonds4

About 8-(6-fluoro-3-pyridinyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(6-fluoro-3-pyridinyl)-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 53354217) has the molecular formula C19H19FN8S and a molecular weight of 410.48 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354217
Molecular FormulaC19H19FN8S
Molecular Weight410.48 g/mol
Exact Mass410.14
IUPAC Name8-(6-fluoro-3-pyridinyl)-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(F)nc5)cccn4n3)CC2)n1
InChIInChI=1S/C19H19FN8S/c1-12-22-19(29-26-12)27-9-6-14(7-10-27)23-18-24-17-15(3-2-8-28(17)25-18)13-4-5-16(20)21-11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyGEBAGUCZLJEKFZ-UHFFFAOYSA-N
XLogP3.17
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-(6-fluoro-3-pyridinyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354217) is 8-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-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-(6-fluoro-3-pyridinyl)-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(F)nc5)cccn4n3)CC2)n1.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)-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 GEBAGUCZLJEKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8S/c1-12-22-19(29-26-12)27-9-6-14(7-10-27)23-18-24-17-15(3-2-8-28(17)25-18)13-4-5-16(20)21-11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,23,25).
What are the key properties of 8-(6-fluoro-3-pyridinyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(6-fluoro-3-pyridinyl)-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 410.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoro-3-pyridinyl)-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 53354217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).