3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole

C16H16F2N6O2 — CID 167800095

IUPAC3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole
SMILESCC1Cn2nc(-c3nc(-c4cc(OCC(F)F)ccn4)no3)cc2CN1
InChIInChI=1S/C16H16F2N6O2/c1-9-7-24-10(6-20-9)4-13(22-24)16-21-15(23-26-16)12-5-11(2-3-19-12)25-8-14(17)18/h2-5,9,14,20H,6-8H2,1H3
InChIKeyPVRMWGUHMSBCEJ-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.13
Rot. Bonds5

About 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole

3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 167800095) has the molecular formula C16H16F2N6O2 and a molecular weight of 362.34 g/mol. Its IUPAC name is 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID167800095
Molecular FormulaC16H16F2N6O2
Molecular Weight362.34 g/mol
Exact Mass362.13
IUPAC Name3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole
SMILESCC1Cn2nc(-c3nc(-c4cc(OCC(F)F)ccn4)no3)cc2CN1
InChIInChI=1S/C16H16F2N6O2/c1-9-7-24-10(6-20-9)4-13(22-24)16-21-15(23-26-16)12-5-11(2-3-19-12)25-8-14(17)18/h2-5,9,14,20H,6-8H2,1H3
InChIKeyPVRMWGUHMSBCEJ-UHFFFAOYSA-N
XLogP2.13
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole (CID 167800095) is 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole is CC1Cn2nc(-c3nc(-c4cc(OCC(F)F)ccn4)no3)cc2CN1.
What is the InChIKey of 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is PVRMWGUHMSBCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O2/c1-9-7-24-10(6-20-9)4-13(22-24)16-21-15(23-26-16)12-5-11(2-3-19-12)25-8-14(17)18/h2-5,9,14,20H,6-8H2,1H3.
What are the key properties of 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole?
3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 362.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167800095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).