8-(2-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 53354320

IUPAC8-(2-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(-c5cccnc5F)cccn4n3)CC2)n1
InChIInChI=1S/C19H19FN8S/c1-12-22-19(29-26-12)27-10-6-13(7-11-27)23-18-24-17-15(5-3-9-28(17)25-18)14-4-2-8-21-16(14)20/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,23,25)
InChIKeyHCDXOZGSRNFJBP-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.17
Rot. Bonds4

About 8-(2-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-(2-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 53354320) has the molecular formula C19H19FN8S and a molecular weight of 410.48 g/mol. Its IUPAC name is 8-(2-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-(2-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 CID53354320
Molecular FormulaC19H19FN8S
Molecular Weight410.48 g/mol
Exact Mass410.14
IUPAC Name8-(2-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(-c5cccnc5F)cccn4n3)CC2)n1
InChIInChI=1S/C19H19FN8S/c1-12-22-19(29-26-12)27-10-6-13(7-11-27)23-18-24-17-15(5-3-9-28(17)25-18)14-4-2-8-21-16(14)20/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,23,25)
InChIKeyHCDXOZGSRNFJBP-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-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-(2-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 53354320) is 8-(2-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-(2-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-(2-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(-c5cccnc5F)cccn4n3)CC2)n1.
What is the InChIKey of 8-(2-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 HCDXOZGSRNFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8S/c1-12-22-19(29-26-12)27-10-6-13(7-11-27)23-18-24-17-15(5-3-9-28(17)25-18)14-4-2-8-21-16(14)20/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,23,25).
What are the key properties of 8-(2-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-(2-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-(2-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 53354320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).