5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C22H14F3N5O2 — CID 141467434

IUPAC5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3nn(Cc4ccccn4)c4ccccc34)n2)cc1
InChIInChI=1S/C22H14F3N5O2/c23-22(24,25)31-16-10-8-14(9-11-16)20-27-21(32-29-20)19-17-6-1-2-7-18(17)30(28-19)13-15-5-3-4-12-26-15/h1-12H,13H2
InChIKeyFEEHPMBEQMPHBZ-UHFFFAOYSA-N
MW437.38 g/mol
LogP5.10
Rot. Bonds5

About 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 141467434) has the molecular formula C22H14F3N5O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID141467434
Molecular FormulaC22H14F3N5O2
Molecular Weight437.38 g/mol
Exact Mass437.11
IUPAC Name5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2noc(-c3nn(Cc4ccccn4)c4ccccc34)n2)cc1
InChIInChI=1S/C22H14F3N5O2/c23-22(24,25)31-16-10-8-14(9-11-16)20-27-21(32-29-20)19-17-6-1-2-7-18(17)30(28-19)13-15-5-3-4-12-26-15/h1-12H,13H2
InChIKeyFEEHPMBEQMPHBZ-UHFFFAOYSA-N
XLogP5.10
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methylsulfanyl-N-phenyl-3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]aniline
CID 175119675
N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide
CID 155682509
5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467446
5-[5-methyl-1-[(1-methylindazol-4-yl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 73331370
5-[1-[[2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 58538797
N',N'-dimethyl-N-[6-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-3-pyridinyl]ethane-1,2-diamine
CID 58561635
3-propyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 131702454
N-ethyl-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]acetamide
CID 53037381
2-(3-fluorophenyl)-4-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 53082196
1-[(2,4-difluorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]cinnolin-4-one
CID 44610403
4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]aniline
CID 58561579
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 21334392

Frequently Asked Questions

What is the IUPAC name of 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 141467434) is 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(-c2noc(-c3nn(Cc4ccccn4)c4ccccc34)n2)cc1.
What is the InChIKey of 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is FEEHPMBEQMPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O2/c23-22(24,25)31-16-10-8-14(9-11-16)20-27-21(32-29-20)19-17-6-1-2-7-18(17)30(28-19)13-15-5-3-4-12-26-15/h1-12H,13H2.
What are the key properties of 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 437.38 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(pyridin-2-ylmethyl)indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141467434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).