8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine

C30H15N7OS — CID 138721773

IUPAC8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2c(c1)c1cnccc1n2-c1cc(-c2ccnc3c2sc2cncnc23)c2oc3nccnc3c2c1
InChIInChI=1S/C30H15N7OS/c1-2-4-22-17(3-1)21-13-31-7-6-23(21)37(22)16-11-19(28-20(12-16)25-30(38-28)35-10-9-34-25)18-5-8-33-27-26-24(39-29(18)27)14-32-15-36-26/h1-15H
InChIKeyDNDXHAZRAKOIHW-UHFFFAOYSA-N
MW521.57 g/mol
LogP7.09
Rot. Bonds2

About 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine

8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 138721773) has the molecular formula C30H15N7OS and a molecular weight of 521.57 g/mol. Its IUPAC name is 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID138721773
Molecular FormulaC30H15N7OS
Molecular Weight521.57 g/mol
Exact Mass521.11
IUPAC Name8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2c(c1)c1cnccc1n2-c1cc(-c2ccnc3c2sc2cncnc23)c2oc3nccnc3c2c1
InChIInChI=1S/C30H15N7OS/c1-2-4-22-17(3-1)21-13-31-7-6-23(21)37(22)16-11-19(28-20(12-16)25-30(38-28)35-10-9-34-25)18-5-8-33-27-26-24(39-29(18)27)14-32-15-36-26/h1-15H
InChIKeyDNDXHAZRAKOIHW-UHFFFAOYSA-N
XLogP7.09
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine (CID 138721773) is 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine is c1ccc2c(c1)c1cnccc1n2-c1cc(-c2ccnc3c2sc2cncnc23)c2oc3nccnc3c2c1.
What is the InChIKey of 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is DNDXHAZRAKOIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15N7OS/c1-2-4-22-17(3-1)21-13-31-7-6-23(21)37(22)16-11-19(28-20(12-16)25-30(38-28)35-10-9-34-25)18-5-8-33-27-26-24(39-29(18)27)14-32-15-36-26/h1-15H.
What are the key properties of 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine?
8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 521.57 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrido[4,3-b]indol-5-yl-6-(8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-10-yl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 138721773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).