3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine

C15H11N3S — CID 10378189

IUPAC3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1
InChIInChI=1S/C15H11N3S/c1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11/h1-9,16H,(H,17,18)
InChIKeyHYDKGIXJZOBDCE-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.29
Rot. Bonds2

About 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine

3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10378189) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID10378189
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1
InChIInChI=1S/C15H11N3S/c1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11/h1-9,16H,(H,17,18)
InChIKeyHYDKGIXJZOBDCE-UHFFFAOYSA-N
XLogP4.29
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 10378189) is 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is c1csc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c1.
What is the InChIKey of 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HYDKGIXJZOBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-2-14(19-5-1)11-6-12-13(10-3-4-16-7-10)9-18-15(12)17-8-11/h1-9,16H,(H,17,18).
What are the key properties of 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?
3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 265.34 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-yl)-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10378189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).