8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H28FN7O — CID 123294212

IUPAC8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=CCc1ccc(C2CCCn3nc(NC4CCN(c5nnc(C)o5)CC4)nc32)cc1F
InChIInChI=1S/C23H28FN7O/c1-3-5-16-7-8-17(14-20(16)24)19-6-4-11-31-21(19)26-22(29-31)25-18-9-12-30(13-10-18)23-28-27-15(2)32-23/h3,7-8,14,18-19H,1,4-6,9-13H2,2H3,(H,25,29)
InChIKeyAUBOSFKMODWZBS-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.84
Rot. Bonds6

About 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 123294212) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID123294212
Molecular FormulaC23H28FN7O
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC Name8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=CCc1ccc(C2CCCn3nc(NC4CCN(c5nnc(C)o5)CC4)nc32)cc1F
InChIInChI=1S/C23H28FN7O/c1-3-5-16-7-8-17(14-20(16)24)19-6-4-11-31-21(19)26-22(29-31)25-18-9-12-30(13-10-18)23-28-27-15(2)32-23/h3,7-8,14,18-19H,1,4-6,9-13H2,2H3,(H,25,29)
InChIKeyAUBOSFKMODWZBS-UHFFFAOYSA-N
XLogP3.84
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 123294212) is 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C=CCc1ccc(C2CCCn3nc(NC4CCN(c5nnc(C)o5)CC4)nc32)cc1F.
What is the InChIKey of 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AUBOSFKMODWZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O/c1-3-5-16-7-8-17(14-20(16)24)19-6-4-11-31-21(19)26-22(29-31)25-18-9-12-30(13-10-18)23-28-27-15(2)32-23/h3,7-8,14,18-19H,1,4-6,9-13H2,2H3,(H,25,29).
What are the key properties of 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 437.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-prop-2-enylphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 123294212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).