2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine

C40H22N8S3 — CID 59866410

IUPAC2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESc1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7nccnc7s6)cc5)cc(-c5ccc(-c6nc7nccnc7s6)cc5)c4)cc3)nc2c1
InChIInChI=1S/C40H22N8S3/c1-2-32-38(43-15-1)49-35(46-32)26-9-3-23(4-10-26)29-20-30(24-5-11-27(12-6-24)36-47-33-39(50-36)44-18-16-41-33)22-31(21-29)25-7-13-28(14-8-25)37-48-34-40(51-37)45-19-17-42-34/h1-22H
InChIKeyDMPGNASGWNHYRK-UHFFFAOYSA-N
MW710.87 g/mol
LogP10.49
Rot. Bonds6

About 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine

2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine (PubChem CID 59866410) has the molecular formula C40H22N8S3 and a molecular weight of 710.87 g/mol. Its IUPAC name is 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
PubChem CID59866410
Molecular FormulaC40H22N8S3
Molecular Weight710.87 g/mol
Exact Mass710.11
IUPAC Name2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
SMILESc1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7nccnc7s6)cc5)cc(-c5ccc(-c6nc7nccnc7s6)cc5)c4)cc3)nc2c1
InChIInChI=1S/C40H22N8S3/c1-2-32-38(43-15-1)49-35(46-32)26-9-3-23(4-10-26)29-20-30(24-5-11-27(12-6-24)36-47-33-39(50-36)44-18-16-41-33)22-31(21-29)25-7-13-28(14-8-25)37-48-34-40(51-37)45-19-17-42-34/h1-22H
InChIKeyDMPGNASGWNHYRK-UHFFFAOYSA-N
XLogP10.49
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.87
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
The IUPAC name of 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine (CID 59866410) is 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine.
What is the SMILES notation for 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
The canonical SMILES for 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine is c1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7nccnc7s6)cc5)cc(-c5ccc(-c6nc7nccnc7s6)cc5)c4)cc3)nc2c1.
What is the InChIKey of 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
The InChIKey is DMPGNASGWNHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N8S3/c1-2-32-38(43-15-1)49-35(46-32)26-9-3-23(4-10-26)29-20-30(24-5-11-27(12-6-24)36-47-33-39(50-36)44-18-16-41-33)22-31(21-29)25-7-13-28(14-8-25)37-48-34-40(51-37)45-19-17-42-34/h1-22H.
What are the key properties of 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine?
2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine has a molecular weight of 710.87 g/mol, XLogP of 10.49, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine is sourced from PubChem (CID 59866410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).