3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine

C16H10F2N6O — CID 118110177

IUPAC3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1nnc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C16H10F2N6O/c17-10-1-2-13(18)11(4-10)15-23-24-16(25-15)12-3-8(5-20-14(12)19)9-6-21-22-7-9/h1-7H,(H2,19,20)(H,21,22)
InChIKeyCUCXAKDPZVGKIC-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.05
Rot. Bonds3

About 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine

3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 118110177) has the molecular formula C16H10F2N6O and a molecular weight of 340.29 g/mol. Its IUPAC name is 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID118110177
Molecular FormulaC16H10F2N6O
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Name3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1nnc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C16H10F2N6O/c17-10-1-2-13(18)11(4-10)15-23-24-16(25-15)12-3-8(5-20-14(12)19)9-6-21-22-7-9/h1-7H,(H2,19,20)(H,21,22)
InChIKeyCUCXAKDPZVGKIC-UHFFFAOYSA-N
XLogP3.05
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine (CID 118110177) is 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2)cc1-c1nnc(-c2cc(F)ccc2F)o1.
What is the InChIKey of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is CUCXAKDPZVGKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6O/c17-10-1-2-13(18)11(4-10)15-23-24-16(25-15)12-3-8(5-20-14(12)19)9-6-21-22-7-9/h1-7H,(H2,19,20)(H,21,22).
What are the key properties of 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 340.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 118110177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).