5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine

C17H19N3O2S — CID 171137918

IUPAC5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)cc2n1
InChIInChI=1S/C17H19N3O2S/c1-10-8-18-14(11(2)17(10)22-4)9-23-16-7-13-12(20-16)5-6-15(19-13)21-3/h5-8,20H,9H2,1-4H3
InChIKeyQMRSXRGTBFUSNJ-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.88
Rot. Bonds5

About 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine

5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 171137918) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID171137918
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)cc2n1
InChIInChI=1S/C17H19N3O2S/c1-10-8-18-14(11(2)17(10)22-4)9-23-16-7-13-12(20-16)5-6-15(19-13)21-3/h5-8,20H,9H2,1-4H3
InChIKeyQMRSXRGTBFUSNJ-UHFFFAOYSA-N
XLogP3.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 57346352
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole
CID 45040155
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-ylidene]hydroxylamine
CID 74074716
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1,5,6,7-tetrahydropyrrolo[2,3-f]benzimidazole
CID 165368515
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]quinoline
CID 22394159
potassium;hydride;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
CID 173049519
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
[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-yl] (Z)-2-methylbut-2-enoate
CID 163541273
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 66353268
[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]benzimidazol-1-yl]methanol
CID 14877893
2-[[3,5-dimethyl-4-(trideuteriomethoxy)-2-pyridinyl]methylsulfinyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 76973189

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine (CID 171137918) is 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine is COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)cc2n1.
What is the InChIKey of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is QMRSXRGTBFUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10-8-18-14(11(2)17(10)22-4)9-23-16-7-13-12(20-16)5-6-15(19-13)21-3/h5-8,20H,9H2,1-4H3.
What are the key properties of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine?
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 329.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 171137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).