N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

C24H19F3N6O2 — CID 175784465

IUPACN-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CC2CC1CN2c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C24H19F3N6O2/c25-24(26,27)22-30-21(31-35-22)15-8-9-20(28-11-15)32-12-17-10-16(32)13-33(17)23(34)29-19-7-3-5-14-4-1-2-6-18(14)19/h1-9,11,16-17H,10,12-13H2,(H,29,34)
InChIKeyOQGFPIJBLVFSNI-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.80
Rot. Bonds3

About N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide

N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 175784465) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID175784465
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC NameN-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CC2CC1CN2c1ccc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C24H19F3N6O2/c25-24(26,27)22-30-21(31-35-22)15-8-9-20(28-11-15)32-12-17-10-16(32)13-33(17)23(34)29-19-7-3-5-14-4-1-2-6-18(14)19/h1-9,11,16-17H,10,12-13H2,(H,29,34)
InChIKeyOQGFPIJBLVFSNI-UHFFFAOYSA-N
XLogP4.80
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

1-[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,2-diphenylethanone
CID 176862738
3-[6-[5-(benzenesulfonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175784288
[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone
CID 176862686
3-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 175784176
N-[2-oxo-2-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 90491551
3-phenylsulfanyl-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 90491597
N',N'-dimethyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]oxamide
CID 137366751
6-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 175784314
cyclobutyl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491592
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
(3S,4S)-1-(naphthalen-1-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073552
N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide (CID 175784465) is N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cccc2ccccc12)N1CC2CC1CN2c1ccc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OQGFPIJBLVFSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c25-24(26,27)22-30-21(31-35-22)15-8-9-20(28-11-15)32-12-17-10-16(32)13-33(17)23(34)29-19-7-3-5-14-4-1-2-6-18(14)19/h1-9,11,16-17H,10,12-13H2,(H,29,34).
What are the key properties of N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide?
N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 175784465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).