4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

C17H12N2S — CID 173127712

IUPAC4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2ccsc2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H12N2S/c1-2-4-12(5-3-1)13-8-11-20-16(13)14-6-9-18-17-15(14)7-10-19-17/h1-11H,(H,18,19)
InChIKeyGBEIQYZTOQIZAV-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.96
Rot. Bonds2

About 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine

4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 173127712) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID173127712
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2ccsc2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H12N2S/c1-2-4-12(5-3-1)13-8-11-20-16(13)14-6-9-18-17-15(14)7-10-19-17/h1-11H,(H,18,19)
InChIKeyGBEIQYZTOQIZAV-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 173127712) is 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2ccsc2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GBEIQYZTOQIZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-2-4-12(5-3-1)13-8-11-20-16(13)14-6-9-18-17-15(14)7-10-19-17/h1-11H,(H,18,19).
What are the key properties of 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 276.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 173127712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).