4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine

C111H88N28O8S2 — CID 158741579

IUPAC4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
SMILESc1cc(-c2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]ccc56)nc4c3c2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3sc4ncccc4c3n2)c2cc[nH]c2c1.c1cnc2oc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1.c1cnc2sc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C29H22N6O2.C21H17N5O2.C21H17N5OS.C20H16N6O2.C20H16N6OS/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24;2*1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26;2*1-2-14-15-16(28-20(14)23-5-1)19(26-8-10-27-11-9-26)25-18(24-15)13-4-7-22-17-12(13)3-6-21-17/h1-10,15-16,30-31H,11-14H2;2*1-8,22H,9-12H2;2*1-7H,8-11H2,(H,21,22)
InChIKeyIMJBQOWXFDGPDA-UHFFFAOYSA-N
MW2006.25 g/mol
LogP20.65
Rot. Bonds11

About 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine

4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine (PubChem CID 158741579) has the molecular formula C111H88N28O8S2 and a molecular weight of 2006.25 g/mol. Its IUPAC name is 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine.

Molecular Properties

Compound Name4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
PubChem CID158741579
Molecular FormulaC111H88N28O8S2
Molecular Weight2006.25 g/mol
Exact Mass2004.68
IUPAC Name4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
SMILESc1cc(-c2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]ccc56)nc4c3c2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3sc4ncccc4c3n2)c2cc[nH]c2c1.c1cnc2oc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1.c1cnc2sc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1
InChIInChI=1S/C29H22N6O2.C21H17N5O2.C21H17N5OS.C20H16N6O2.C20H16N6OS/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24;2*1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26;2*1-2-14-15-16(28-20(14)23-5-1)19(26-8-10-27-11-9-26)25-18(24-15)13-4-7-22-17-12(13)3-6-21-17/h1-10,15-16,30-31H,11-14H2;2*1-8,22H,9-12H2;2*1-7H,8-11H2,(H,21,22)
InChIKeyIMJBQOWXFDGPDA-UHFFFAOYSA-N
XLogP20.65
TPSA415.64 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds11
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002006.25
LogP ≤ 520.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine with MolForge

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Related Compounds

2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50992289
4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 126621932
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 126621935
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-12-[[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135312776
4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-12-[[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 139375169
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 145260715
5-(7-Fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-[2-[4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzoxazole
CID 146601354
6-morpholin-4-yl-12-[[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-4-[2-(trifluoromethyl)-1H-indol-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-morpholin-4-yl-4-[2-(trifluoromethyl)-1H-indol-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde;(1R,4S)-2-oxabicyclo[2.2.1]heptane;hydrochloride
CID 157260108
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
4-[2-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;2-[4-[[2-(2-cyano-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide;2-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]oxazolo[4,5-d]pyrimidine;2-methyl-2-[4-[[5-(2-methyl-1-benzofuran-3-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]propanamide
CID 157947850
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259

Frequently Asked Questions

What is the IUPAC name of 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine?
The IUPAC name of 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine (CID 158741579) is 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine.
What is the SMILES notation for 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine?
The canonical SMILES for 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine is c1cc(-c2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]ccc56)nc4c3c2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c2cc[nH]c2c1.c1cc(-c2nc(N3CCOCC3)c3sc4ncccc4c3n2)c2cc[nH]c2c1.c1cnc2oc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1.c1cnc2sc3c(N4CCOCC4)nc(-c4ccnc5[nH]ccc45)nc3c2c1.
What is the InChIKey of 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine?
The InChIKey is IMJBQOWXFDGPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O2.C21H17N5O2.C21H17N5OS.C20H16N6O2.C20H16N6OS/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24;2*1-3-14(13-6-8-22-16(13)5-1)19-24-17-15-4-2-7-23-21(15)28-18(17)20(25-19)26-9-11-27-12-10-26;2*1-2-14-15-16(28-20(14)23-5-1)19(26-8-10-27-11-9-26)25-18(24-15)13-4-7-22-17-12(13)3-6-21-17/h1-10,15-16,30-31H,11-14H2;2*1-8,22H,9-12H2;2*1-7H,8-11H2,(H,21,22).
What are the key properties of 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine?
4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine has a molecular weight of 2006.25 g/mol, XLogP of 20.65, 11 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-bis(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-indol-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine is sourced from PubChem (CID 158741579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).