[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C228H140N36O14S8 — CID 157291548

IUPAC[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)oc1ccncc12.c1cc2c(cn1)oc1cnccc12.c1cc2oc3ccncc3c2cn1.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1ncccc12.c1cnc2c(c1)oc1cccnc12.c1cnc2c(c1)oc1ccncc12.c1cnc2c(c1)oc1cnccc12.c1cnc2c(c1)oc1ncccc12.c1cnc2c(c1)sc1ncccc12.c1cnc2oc3ccncc3c2c1.c1cnc2oc3cnccc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ccncc3c2c1.c1cnc2sc3cnccc3c2c1.c1cnc2sc3ncccc3c2c1
InChIInChI=1S/4C11H7NO.4C11H7NS.10C10H6N2O.4C10H6N2S/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1/h8*1-7H;14*1-6H
InChIKeyBAWBGPURZOZFCL-UHFFFAOYSA-N
MW3864.40 g/mol
LogP60.86
Rot. Bonds

About [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157291548) has the molecular formula C228H140N36O14S8 and a molecular weight of 3864.40 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157291548
Molecular FormulaC228H140N36O14S8
Molecular Weight3864.40 g/mol
Exact Mass3860.91
IUPAC Name[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)oc1ccncc12.c1cc2c(cn1)oc1cnccc12.c1cc2oc3ccncc3c2cn1.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1ncccc12.c1cnc2c(c1)oc1cccnc12.c1cnc2c(c1)oc1ccncc12.c1cnc2c(c1)oc1cnccc12.c1cnc2c(c1)oc1ncccc12.c1cnc2c(c1)sc1ncccc12.c1cnc2oc3ccncc3c2c1.c1cnc2oc3cnccc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ccncc3c2c1.c1cnc2sc3cnccc3c2c1.c1cnc2sc3ncccc3c2c1
InChIInChI=1S/4C11H7NO.4C11H7NS.10C10H6N2O.4C10H6N2S/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1/h8*1-7H;14*1-6H
InChIKeyBAWBGPURZOZFCL-UHFFFAOYSA-N
XLogP60.86
TPSA648.00 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003864.40
LogP ≤ 560.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157291548) is [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc2c(cn1)oc1ccncc12.c1cc2c(cn1)oc1cnccc12.c1cc2oc3ccncc3c2cn1.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1ncccc12.c1cnc2c(c1)oc1cccnc12.c1cnc2c(c1)oc1ccncc12.c1cnc2c(c1)oc1cnccc12.c1cnc2c(c1)oc1ncccc12.c1cnc2c(c1)sc1ncccc12.c1cnc2oc3ccncc3c2c1.c1cnc2oc3cnccc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ccncc3c2c1.c1cnc2sc3cnccc3c2c1.c1cnc2sc3ncccc3c2c1.
What is the InChIKey of [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BAWBGPURZOZFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H7NO.4C11H7NS.10C10H6N2O.4C10H6N2S/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1/h8*1-7H;14*1-6H.
What are the key properties of [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3864.40 g/mol, XLogP of 60.86, 0 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157291548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).