N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide

C19H18F2N6O2S — CID 145238985

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide
SMILESCCS(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc2cnn(C)c12
InChIInChI=1S/C19H18F2N6O2S/c1-3-30(28)27(15-6-4-5-12-10-23-26(2)16(12)15)11-14-8-7-13(9-22-14)18-24-25-19(29-18)17(20)21/h4-10,17H,3,11H2,1-2H3
InChIKeyLVXCRTHRKOOJJV-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.65
Rot. Bonds7

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide (PubChem CID 145238985) has the molecular formula C19H18F2N6O2S and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide
PubChem CID145238985
Molecular FormulaC19H18F2N6O2S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide
SMILESCCS(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc2cnn(C)c12
InChIInChI=1S/C19H18F2N6O2S/c1-3-30(28)27(15-6-4-5-12-10-23-26(2)16(12)15)11-14-8-7-13(9-22-14)18-24-25-19(29-18)17(20)21/h4-10,17H,3,11H2,1-2H3
InChIKeyLVXCRTHRKOOJJV-UHFFFAOYSA-N
XLogP3.65
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine
CID 145238487
N-(4-chloro-3-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145238689
N-(3-chloro-4-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145239055
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]-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
acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
CID 145239715
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane
CID 145238560
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide
CID 145238623
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-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-ethyl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 140894985

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide (CID 145238985) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide is CCS(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc2cnn(C)c12.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide?
The InChIKey is LVXCRTHRKOOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2S/c1-3-30(28)27(15-6-4-5-12-10-23-26(2)16(12)15)11-14-8-7-13(9-22-14)18-24-25-19(29-18)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-(1-methylindazol-7-yl)ethanesulfinamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide has a molecular weight of 432.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-(1-methylindazol-7-yl)ethanesulfinamide is sourced from PubChem (CID 145238985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).