2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine

C16H18N4O3S — CID 76973189

IUPAC2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILES[2H]C([2H])([2H])Oc1c(C)cnc(CS(=O)c2nc3nc(OC)ccc3[nH]2)c1C
InChIInChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)/i4D3
InChIKeyZBFDAUIVDSSISP-GKOSEXJESA-N
MW349.43 g/mol
LogP2.29
Rot. Bonds6

About 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine

2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 76973189) has the molecular formula C16H18N4O3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID76973189
Molecular FormulaC16H18N4O3S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILES[2H]C([2H])([2H])Oc1c(C)cnc(CS(=O)c2nc3nc(OC)ccc3[nH]2)c1C
InChIInChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)/i4D3
InChIKeyZBFDAUIVDSSISP-GKOSEXJESA-N
XLogP2.29
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

sodium;hydride;5-methoxy-2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
CID 173058221
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;propane
CID 145109841
potassium;hydride;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
CID 173049519
2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
CID 87490691
sodium;2-[(S)-[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole;hydride
CID 173091573
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole;2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazole
CID 162101256
magnesium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;trihydrate
CID 22712834
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;dihydrate
CID 54576653
magnesium;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;dichloride;tetrahydrate
CID 54576863
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazole-5-carbaldehyde
CID 18335025
6-methoxy-1H-benzimidazole-2-sulfinate;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 158438190

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (CID 76973189) is 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is [2H]C([2H])([2H])Oc1c(C)cnc(CS(=O)c2nc3nc(OC)ccc3[nH]2)c1C.
What is the InChIKey of 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZBFDAUIVDSSISP-GKOSEXJESA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)/i4D3.
What are the key properties of 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 349.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 76973189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).