2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine

C33H18N12S3 — CID 23391291

IUPAC2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine
SMILESc1csc(-n2c(-c3cc(-c4nc5nccnc5n4-c4cccs4)cc(-c4nc5nccnc5n4-c4cccs4)c3)nc3nccnc32)c1
InChIInChI=1S/C33H18N12S3/c1-4-22(46-13-1)43-28(40-25-31(43)37-10-7-34-25)19-16-20(29-41-26-32(38-11-8-35-26)44(29)23-5-2-14-47-23)18-21(17-19)30-42-27-33(39-12-9-36-27)45(30)24-6-3-15-48-24/h1-18H
InChIKeyPMBANTXKNIDDCG-UHFFFAOYSA-N
MW678.79 g/mol
LogP7.26
Rot. Bonds6

About 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine

2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine (PubChem CID 23391291) has the molecular formula C33H18N12S3 and a molecular weight of 678.79 g/mol. Its IUPAC name is 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine
PubChem CID23391291
Molecular FormulaC33H18N12S3
Molecular Weight678.79 g/mol
Exact Mass678.09
IUPAC Name2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine
SMILESc1csc(-n2c(-c3cc(-c4nc5nccnc5n4-c4cccs4)cc(-c4nc5nccnc5n4-c4cccs4)c3)nc3nccnc32)c1
InChIInChI=1S/C33H18N12S3/c1-4-22(46-13-1)43-28(40-25-31(43)37-10-7-34-25)19-16-20(29-41-26-32(38-11-8-35-26)44(29)23-5-2-14-47-23)18-21(17-19)30-42-27-33(39-12-9-36-27)45(30)24-6-3-15-48-24/h1-18H
InChIKeyPMBANTXKNIDDCG-UHFFFAOYSA-N
XLogP7.26
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine?
The IUPAC name of 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine (CID 23391291) is 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine.
What is the SMILES notation for 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine?
The canonical SMILES for 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine is c1csc(-n2c(-c3cc(-c4nc5nccnc5n4-c4cccs4)cc(-c4nc5nccnc5n4-c4cccs4)c3)nc3nccnc32)c1.
What is the InChIKey of 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine?
The InChIKey is PMBANTXKNIDDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N12S3/c1-4-22(46-13-1)43-28(40-25-31(43)37-10-7-34-25)19-16-20(29-41-26-32(38-11-8-35-26)44(29)23-5-2-14-47-23)18-21(17-19)30-42-27-33(39-12-9-36-27)45(30)24-6-3-15-48-24/h1-18H.
What are the key properties of 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine?
2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine has a molecular weight of 678.79 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-thiophen-2-ylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-thiophen-2-ylimidazo[4,5-b]pyrazine is sourced from PubChem (CID 23391291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).