2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

C23H19F2N9O — CID 162722089

IUPAC2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)cc2)o1
InChIInChI=1S/C23H19F2N9O/c24-19(25)23-31-30-22(35-23)14-6-4-13(5-7-14)12-34-32-21(29-33-34)16-3-1-2-15(10-16)20-27-17-8-9-26-11-18(17)28-20/h1-7,10,19,26H,8-9,11-12H2,(H,27,28)
InChIKeyWUFOCEWXWFVIOI-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.41
Rot. Bonds6

About 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722089) has the molecular formula C23H19F2N9O and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722089
Molecular FormulaC23H19F2N9O
Molecular Weight475.46 g/mol
Exact Mass475.17
IUPAC Name2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)cc2)o1
InChIInChI=1S/C23H19F2N9O/c24-19(25)23-31-30-22(35-23)14-6-4-13(5-7-14)12-34-32-21(29-33-34)16-3-1-2-15(10-16)20-27-17-8-9-26-11-18(17)28-20/h1-7,10,19,26H,8-9,11-12H2,(H,27,28)
InChIKeyWUFOCEWXWFVIOI-UHFFFAOYSA-N
XLogP3.41
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

CID 162665124
CID 162665124
CID 162721867
CID 162721867
CID 162721877
CID 162721877
CID 162721893
CID 162721893
CID 162722082
CID 162722082
CID 162722091
CID 162722091
CID 162722099
CID 162722099
CID 162722127
CID 162722127
CID 162722171
CID 162722171
CID 162722238
CID 162722238
CID 162722268
CID 162722268
CID 162722329
CID 162722329

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722089) is 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(-c5nc6c([nH]5)CNCC6)c4)n3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is WUFOCEWXWFVIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N9O/c24-19(25)23-31-30-22(35-23)14-6-4-13(5-7-14)12-34-32-21(29-33-34)16-3-1-2-15(10-16)20-27-17-8-9-26-11-18(17)28-20/h1-7,10,19,26H,8-9,11-12H2,(H,27,28).
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 475.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).