5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C18H16N2OS2 — CID 67570909

IUPAC5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3c(c2)C(Sc2cccs2)CN3)c1
InChIInChI=1S/C18H16N2OS2/c1-21-14-5-2-4-12(8-14)13-9-15-16(11-20-18(15)19-10-13)23-17-6-3-7-22-17/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyPPDAZGNAQVYCCQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.08
Rot. Bonds4

About 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67570909) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID67570909
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3c(c2)C(Sc2cccs2)CN3)c1
InChIInChI=1S/C18H16N2OS2/c1-21-14-5-2-4-12(8-14)13-9-15-16(11-20-18(15)19-10-13)23-17-6-3-7-22-17/h2-10,16H,11H2,1H3,(H,19,20)
InChIKeyPPDAZGNAQVYCCQ-UHFFFAOYSA-N
XLogP5.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 67570909) is 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is COc1cccc(-c2cnc3c(c2)C(Sc2cccs2)CN3)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PPDAZGNAQVYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c1-21-14-5-2-4-12(8-14)13-9-15-16(11-20-18(15)19-10-13)23-17-6-3-7-22-17/h2-10,16H,11H2,1H3,(H,19,20).
What are the key properties of 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 340.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-thiophen-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67570909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).