5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

C19H17FN6O — CID 26406529

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCN(CCc1cn[nH]c1)c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H17FN6O/c1-26(9-8-13-10-22-23-11-13)17-7-6-14(12-21-17)19-24-18(25-27-19)15-4-2-3-5-16(15)20/h2-7,10-12H,8-9H2,1H3,(H,22,23)
InChIKeyJVWDDXHUFLDOJC-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.34
Rot. Bonds6

About 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 26406529) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID26406529
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCN(CCc1cn[nH]c1)c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C19H17FN6O/c1-26(9-8-13-10-22-23-11-13)17-7-6-14(12-21-17)19-24-18(25-27-19)15-4-2-3-5-16(15)20/h2-7,10-12H,8-9H2,1H3,(H,22,23)
InChIKeyJVWDDXHUFLDOJC-UHFFFAOYSA-N
XLogP3.34
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (CID 26406529) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is CN(CCc1cn[nH]c1)c1ccc(-c2nc(-c3ccccc3F)no2)cn1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is JVWDDXHUFLDOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-26(9-8-13-10-22-23-11-13)17-7-6-14(12-21-17)19-24-18(25-27-19)15-4-2-3-5-16(15)20/h2-7,10-12H,8-9H2,1H3,(H,22,23).
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 364.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 26406529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).