2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine

C25H17N3O2S2 — CID 141121053

IUPAC2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine
SMILESC1=CC(c2cc3ncccc3o2)C(c2cc3ncccc3s2)(C2Cc3ncccc3O2)S1
InChIInChI=1S/C25H17N3O2S2/c1-4-19-16(26-8-1)12-21(29-19)15-7-11-31-25(15,23-13-17-20(30-23)5-2-9-27-17)24-14-18-22(32-24)6-3-10-28-18/h1-12,14-15,23H,13H2
InChIKeyMFSNLWISINJTED-UHFFFAOYSA-N
MW455.56 g/mol
LogP6.08
Rot. Bonds3

About 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine

2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine (PubChem CID 141121053) has the molecular formula C25H17N3O2S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine
PubChem CID141121053
Molecular FormulaC25H17N3O2S2
Molecular Weight455.56 g/mol
Exact Mass455.08
IUPAC Name2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine
SMILESC1=CC(c2cc3ncccc3o2)C(c2cc3ncccc3s2)(C2Cc3ncccc3O2)S1
InChIInChI=1S/C25H17N3O2S2/c1-4-19-16(26-8-1)12-21(29-19)15-7-11-31-25(15,23-13-17-20(30-23)5-2-9-27-17)24-14-18-22(32-24)6-3-10-28-18/h1-12,14-15,23H,13H2
InChIKeyMFSNLWISINJTED-UHFFFAOYSA-N
XLogP6.08
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine?
The IUPAC name of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine (CID 141121053) is 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine?
The canonical SMILES for 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine is C1=CC(c2cc3ncccc3o2)C(c2cc3ncccc3s2)(C2Cc3ncccc3O2)S1.
What is the InChIKey of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine?
The InChIKey is MFSNLWISINJTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S2/c1-4-19-16(26-8-1)12-21(29-19)15-7-11-31-25(15,23-13-17-20(30-23)5-2-9-27-17)24-14-18-22(32-24)6-3-10-28-18/h1-12,14-15,23H,13H2.
What are the key properties of 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine?
2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine has a molecular weight of 455.56 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydrofuro[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-2-yl-3H-thiophen-3-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 141121053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).