6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine

C21H12N4OS — CID 126703142

IUPAC6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
SMILESc1cnc2cc(-c3cnc4cc(-c5cnc6ccsc6c5)oc4c3)[nH]c2c1
InChIInChI=1S/C21H12N4OS/c1-2-14-17(22-4-1)8-16(25-14)12-6-20-18(24-10-12)9-19(26-20)13-7-21-15(23-11-13)3-5-27-21/h1-11,25H
InChIKeyXQQBMIAHPHMXMB-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.65
Rot. Bonds2

About 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine

6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine (PubChem CID 126703142) has the molecular formula C21H12N4OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
PubChem CID126703142
Molecular FormulaC21H12N4OS
Molecular Weight368.42 g/mol
Exact Mass368.07
IUPAC Name6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
SMILESc1cnc2cc(-c3cnc4cc(-c5cnc6ccsc6c5)oc4c3)[nH]c2c1
InChIInChI=1S/C21H12N4OS/c1-2-14-17(22-4-1)8-16(25-14)12-6-20-18(24-10-12)9-19(26-20)13-7-21-15(23-11-13)3-5-27-21/h1-11,25H
InChIKeyXQQBMIAHPHMXMB-UHFFFAOYSA-N
XLogP5.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
The IUPAC name of 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine (CID 126703142) is 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
The canonical SMILES for 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine is c1cnc2cc(-c3cnc4cc(-c5cnc6ccsc6c5)oc4c3)[nH]c2c1.
What is the InChIKey of 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
The InChIKey is XQQBMIAHPHMXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4OS/c1-2-14-17(22-4-1)8-16(25-14)12-6-20-18(24-10-12)9-19(26-20)13-7-21-15(23-11-13)3-5-27-21/h1-11,25H.
What are the key properties of 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine?
6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine has a molecular weight of 368.42 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 126703142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).