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

C21H12N4OS — CID 139449409

IUPAC2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine
SMILESc1cnc2cc(-c3cnc4cc(-c5cnc6cc[nH]c6c5)sc4c3)oc2c1
InChIInChI=1S/C21H12N4OS/c1-2-18-16(22-4-1)8-19(26-18)12-7-21-17(25-10-12)9-20(27-21)13-6-15-14(24-11-13)3-5-23-15/h1-11,23H
InChIKeyKKIVSALLLWOMNB-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.65
Rot. Bonds2

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

2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine (PubChem CID 139449409) has the molecular formula C21H12N4OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine
PubChem CID139449409
Molecular FormulaC21H12N4OS
Molecular Weight368.42 g/mol
Exact Mass368.07
IUPAC Name2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine
SMILESc1cnc2cc(-c3cnc4cc(-c5cnc6cc[nH]c6c5)sc4c3)oc2c1
InChIInChI=1S/C21H12N4OS/c1-2-18-16(22-4-1)8-19(26-18)12-7-21-17(25-10-12)9-20(27-21)13-6-15-14(24-11-13)3-5-23-15/h1-11,23H
InChIKeyKKIVSALLLWOMNB-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 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine?
The IUPAC name of 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine (CID 139449409) is 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine?
The canonical SMILES for 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine is c1cnc2cc(-c3cnc4cc(-c5cnc6cc[nH]c6c5)sc4c3)oc2c1.
What is the InChIKey of 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine?
The InChIKey is KKIVSALLLWOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4OS/c1-2-18-16(22-4-1)8-19(26-18)12-7-21-17(25-10-12)9-20(27-21)13-6-15-14(24-11-13)3-5-23-15/h1-11,23H.
What are the key properties of 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine?
2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[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 2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 139449409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).