2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole

C18H14F2N6O — CID 167518278

IUPAC2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
SMILESCCn1cc(-c2cc(-c3nnc(-c4ccc(F)cn4)o3)nc(C)c2F)cn1
InChIInChI=1S/C18H14F2N6O/c1-3-26-9-11(7-22-26)13-6-15(23-10(2)16(13)20)18-25-24-17(27-18)14-5-4-12(19)8-21-14/h4-9H,3H2,1-2H3
InChIKeyMTONDVDZSNTICQ-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.66
Rot. Bonds4

About 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole

2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 167518278) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID167518278
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
SMILESCCn1cc(-c2cc(-c3nnc(-c4ccc(F)cn4)o3)nc(C)c2F)cn1
InChIInChI=1S/C18H14F2N6O/c1-3-26-9-11(7-22-26)13-6-15(23-10(2)16(13)20)18-25-24-17(27-18)14-5-4-12(19)8-21-14/h4-9H,3H2,1-2H3
InChIKeyMTONDVDZSNTICQ-UHFFFAOYSA-N
XLogP3.66
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole (CID 167518278) is 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole is CCn1cc(-c2cc(-c3nnc(-c4ccc(F)cn4)o3)nc(C)c2F)cn1.
What is the InChIKey of 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is MTONDVDZSNTICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c1-3-26-9-11(7-22-26)13-6-15(23-10(2)16(13)20)18-25-24-17(27-18)14-5-4-12(19)8-21-14/h4-9H,3H2,1-2H3.
What are the key properties of 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole?
2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 368.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 167518278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).