N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine

C19H18F2N6OS — CID 145238487

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine
SMILESCCSN(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc2c1cnn2C
InChIInChI=1S/C19H18F2N6OS/c1-3-29-27(16-6-4-5-15-14(16)10-23-26(15)2)11-13-8-7-12(9-22-13)18-24-25-19(28-18)17(20)21/h4-10,17H,3,11H2,1-2H3
InChIKeyZBFVQWYGVBPQEZ-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.63
Rot. Bonds7

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine (PubChem CID 145238487) has the molecular formula C19H18F2N6OS and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine
PubChem CID145238487
Molecular FormulaC19H18F2N6OS
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine
SMILESCCSN(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc2c1cnn2C
InChIInChI=1S/C19H18F2N6OS/c1-3-29-27(16-6-4-5-15-14(16)10-23-26(15)2)11-13-8-7-12(9-22-13)18-24-25-19(28-18)17(20)21/h4-10,17H,3,11H2,1-2H3
InChIKeyZBFVQWYGVBPQEZ-UHFFFAOYSA-N
XLogP4.63
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide
CID 145238985
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 126507616
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylpiperidin-4-yl)sulfanylaniline
CID 145239175
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162767597
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(oxolan-3-ylsulfanyl)aniline
CID 145238557
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide
CID 155348163
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
CID 126508346
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2-methoxyethyl)quinazoline-2,4-dione
CID 155365514
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
CID 145239716
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-3-pyrrolidin-1-ylpropane-1-sulfinamide
CID 145239225
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine (CID 145238487) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine is CCSN(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc2c1cnn2C.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine?
The InChIKey is ZBFVQWYGVBPQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6OS/c1-3-29-27(16-6-4-5-15-14(16)10-23-26(15)2)11-13-8-7-12(9-22-13)18-24-25-19(28-18)17(20)21/h4-10,17H,3,11H2,1-2H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine has a molecular weight of 416.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine is sourced from PubChem (CID 145238487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).