2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

C23H19F2N9O — CID 162721928

IUPAC2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccc(-c5cnn6c5CNCC6)cc4)n3)cc2)o1
InChIInChI=1S/C23H19F2N9O/c24-20(25)23-30-29-22(35-23)17-3-1-14(2-4-17)13-34-31-21(28-32-34)16-7-5-15(6-8-16)18-11-27-33-10-9-26-12-19(18)33/h1-8,11,20,26H,9-10,12-13H2
InChIKeyVBZUIZCKMQVBPE-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.34
Rot. Bonds6

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

2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162721928) has the molecular formula C23H19F2N9O and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162721928
Molecular FormulaC23H19F2N9O
Molecular Weight475.46 g/mol
Exact Mass475.17
IUPAC Name2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccc(-c5cnn6c5CNCC6)cc4)n3)cc2)o1
InChIInChI=1S/C23H19F2N9O/c24-20(25)23-30-29-22(35-23)17-3-1-14(2-4-17)13-34-31-21(28-32-34)16-7-5-15(6-8-16)18-11-27-33-10-9-26-12-19(18)33/h1-8,11,20,26H,9-10,12-13H2
InChIKeyVBZUIZCKMQVBPE-UHFFFAOYSA-N
XLogP3.34
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162721928) is 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4ccc(-c5cnn6c5CNCC6)cc4)n3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is VBZUIZCKMQVBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N9O/c24-20(25)23-30-29-22(35-23)17-3-1-14(2-4-17)13-34-31-21(28-32-34)16-7-5-15(6-8-16)18-11-27-33-10-9-26-12-19(18)33/h1-8,11,20,26H,9-10,12-13H2.
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 475.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[5-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162721928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).