2-(difluoromethyl)-5-[2,5-difluoro-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

C23H17F4N9O — CID 162722082

IUPAC2-(difluoromethyl)-5-[2,5-difluoro-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
SMILESFc1cc(-c2nnc(C(F)F)o2)c(F)cc1Cn1nnc(-c2cccc(-c3nc4c([nH]3)CNCC4)c2)n1
InChIInChI=1S/C23H17F4N9O/c24-15-8-14(22-32-33-23(37-22)19(26)27)16(25)7-13(15)10-36-34-21(31-35-36)12-3-1-2-11(6-12)20-29-17-4-5-28-9-18(17)30-20/h1-3,6-8,19,28H,4-5,9-10H2,(H,29,30)
InChIKeyHRCCSVJCGUSZEZ-UHFFFAOYSA-N
MW511.44 g/mol
LogP3.69
Rot. Bonds6

About 2-(difluoromethyl)-5-[2,5-difluoro-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-[2,5-difluoro-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 162722082) has the molecular formula C23H17F4N9O and a molecular weight of 511.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2,5-difluoro-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-[2,5-difluoro-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 CID162722082
Molecular FormulaC23H17F4N9O
Molecular Weight511.44 g/mol
Exact Mass511.15
IUPAC Name2-(difluoromethyl)-5-[2,5-difluoro-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
SMILESFc1cc(-c2nnc(C(F)F)o2)c(F)cc1Cn1nnc(-c2cccc(-c3nc4c([nH]3)CNCC4)c2)n1
InChIInChI=1S/C23H17F4N9O/c24-15-8-14(22-32-33-23(37-22)19(26)27)16(25)7-13(15)10-36-34-21(31-35-36)12-3-1-2-11(6-12)20-29-17-4-5-28-9-18(17)30-20/h1-3,6-8,19,28H,4-5,9-10H2,(H,29,30)
InChIKeyHRCCSVJCGUSZEZ-UHFFFAOYSA-N
XLogP3.69
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(difluoromethyl)-5-[2,5-difluoro-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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2,5-difluoro-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-[2,5-difluoro-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 162722082) is 2-(difluoromethyl)-5-[2,5-difluoro-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-[2,5-difluoro-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-[2,5-difluoro-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 Fc1cc(-c2nnc(C(F)F)o2)c(F)cc1Cn1nnc(-c2cccc(-c3nc4c([nH]3)CNCC4)c2)n1.
What is the InChIKey of 2-(difluoromethyl)-5-[2,5-difluoro-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 HRCCSVJCGUSZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N9O/c24-15-8-14(22-32-33-23(37-22)19(26)27)16(25)7-13(15)10-36-34-21(31-35-36)12-3-1-2-11(6-12)20-29-17-4-5-28-9-18(17)30-20/h1-3,6-8,19,28H,4-5,9-10H2,(H,29,30).
What are the key properties of 2-(difluoromethyl)-5-[2,5-difluoro-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-[2,5-difluoro-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 511.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2,5-difluoro-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 162722082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).