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

C19H19FN8O — CID 53354532

IUPAC8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4c(-c5ccc(F)nc5)cccn4n3)CC2)o1
InChIInChI=1S/C19H19FN8O/c1-12-24-25-19(29-12)27-9-6-14(7-10-27)22-18-23-17-15(3-2-8-28(17)26-18)13-4-5-16(20)21-11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,22,26)
InChIKeyYBXLXZGWSHHMRX-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.70
Rot. Bonds4

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

8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53354532) has the molecular formula C19H19FN8O and a molecular weight of 394.41 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354532
Molecular FormulaC19H19FN8O
Molecular Weight394.41 g/mol
Exact Mass394.17
IUPAC Name8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4c(-c5ccc(F)nc5)cccn4n3)CC2)o1
InChIInChI=1S/C19H19FN8O/c1-12-24-25-19(29-12)27-9-6-14(7-10-27)22-18-23-17-15(3-2-8-28(17)26-18)13-4-5-16(20)21-11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,22,26)
InChIKeyYBXLXZGWSHHMRX-UHFFFAOYSA-N
XLogP2.70
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.70
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-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

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CID 129116809
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
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(6S,15S)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
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Trk-IN-21
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Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354532) is 8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-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-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nnc(N2CCC(Nc3nc4c(-c5ccc(F)nc5)cccn4n3)CC2)o1.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YBXLXZGWSHHMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O/c1-12-24-25-19(29-12)27-9-6-14(7-10-27)22-18-23-17-15(3-2-8-28(17)26-18)13-4-5-16(20)21-11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,22,26).
What are the key properties of 8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(6-fluoro-3-pyridinyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 394.41 g/mol, XLogP of 2.70, 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-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53354532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).