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

C22H17F3N10O — CID 162722483

IUPAC2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1Cn1nnc(-c2cccc(-c3nc4c([nH]3)CNCC4)c2)n1
InChIInChI=1S/C22H17F3N10O/c23-14-7-13(21-31-32-22(36-21)18(24)25)8-27-17(14)10-35-33-20(30-34-35)12-3-1-2-11(6-12)19-28-15-4-5-26-9-16(15)29-19/h1-3,6-8,18,26H,4-5,9-10H2,(H,28,29)
InChIKeyCGARJCVNZTUWEV-UHFFFAOYSA-N
MW494.44 g/mol
LogP2.95
Rot. Bonds6

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

2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162722483) has the molecular formula C22H17F3N10O and a molecular weight of 494.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162722483
Molecular FormulaC22H17F3N10O
Molecular Weight494.44 g/mol
Exact Mass494.15
IUPAC Name2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1Cn1nnc(-c2cccc(-c3nc4c([nH]3)CNCC4)c2)n1
InChIInChI=1S/C22H17F3N10O/c23-14-7-13(21-31-32-22(36-21)18(24)25)8-27-17(14)10-35-33-20(30-34-35)12-3-1-2-11(6-12)19-28-15-4-5-26-9-16(15)29-19/h1-3,6-8,18,26H,4-5,9-10H2,(H,28,29)
InChIKeyCGARJCVNZTUWEV-UHFFFAOYSA-N
XLogP2.95
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

2-(difluoromethyl)-5-[3-fluoro-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 162722171
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,4-oxadiazole-2-thione
CID 171068504
2-(difluoromethyl)-5-[4-[[5-(6-piperazin-1-yl-3-pyridinyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722479
2-(difluoromethyl)-5-[4-[(5-isoquinolin-7-yltetrazol-2-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 162722504
2-[6-[[4-[4-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-5-fluoro-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443058
2-(difluoromethyl)-5-[4-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722132
2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290300
2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
CID 162722374
2-(difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-[6-[[4-[3-[1-(1-cyclobutylazetidin-3-yl)piperidin-4-yl]phenyl]triazol-1-yl]methyl]-5-fluoro-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169024295
2-[2,5-difluoro-4-[(5-isoquinolin-6-yltetrazol-2-yl)methyl]phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162722104

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162722483) is 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is Fc1cc(-c2nnc(C(F)F)o2)cnc1Cn1nnc(-c2cccc(-c3nc4c([nH]3)CNCC4)c2)n1.
What is the InChIKey of 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is CGARJCVNZTUWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N10O/c23-14-7-13(21-31-32-22(36-21)18(24)25)8-27-17(14)10-35-33-20(30-34-35)12-3-1-2-11(6-12)19-28-15-4-5-26-9-16(15)29-19/h1-3,6-8,18,26H,4-5,9-10H2,(H,28,29).
What are the key properties of 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 494.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-fluoro-6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).