13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C55H29N13O2 — CID 147878472

IUPAC13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cncc3c2oc2ccnnc23)cc(-n2c3ccc(-c4nccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccncc9)cc8c8nccnc87)cnnc6c45)cc3c3nccnc32)c1
InChIInChI=1S/C55H29N13O2/c1-2-7-36(35(6-1)30-12-16-56-17-13-30)32-8-10-42-37(25-32)50-55(62-23-21-60-50)68(42)43-29-64-66-51-46-44(69-53(43)51)14-18-58-47(46)33-9-11-41-38(26-33)49-54(61-22-20-59-49)67(41)34-5-3-4-31(24-34)39-27-57-28-40-48-45(70-52(39)40)15-19-63-65-48/h1-29H
InChIKeyHZYZNLSAFCSFNA-UHFFFAOYSA-N
MW903.93 g/mol
LogP11.69
Rot. Bonds6

About 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 147878472) has the molecular formula C55H29N13O2 and a molecular weight of 903.93 g/mol. Its IUPAC name is 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID147878472
Molecular FormulaC55H29N13O2
Molecular Weight903.93 g/mol
Exact Mass903.26
IUPAC Name13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cncc3c2oc2ccnnc23)cc(-n2c3ccc(-c4nccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccncc9)cc8c8nccnc87)cnnc6c45)cc3c3nccnc32)c1
InChIInChI=1S/C55H29N13O2/c1-2-7-36(35(6-1)30-12-16-56-17-13-30)32-8-10-42-37(25-32)50-55(62-23-21-60-50)68(42)43-29-64-66-51-46-44(69-53(43)51)14-18-58-47(46)33-9-11-41-38(26-33)49-54(61-22-20-59-49)67(41)34-5-3-4-31(24-34)39-27-57-28-40-48-45(70-52(39)40)15-19-63-65-48/h1-29H
InChIKeyHZYZNLSAFCSFNA-UHFFFAOYSA-N
XLogP11.69
TPSA177.93 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.93
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

6-(1,2-Dimethylbenzimidazol-5-yl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681410
1-[4-[4-(7-Amino-2-imidazo[1,2-a]pyrazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 53379264
4-(2-(((s)-1-(4-(3-(benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl)benzoyl)piperidin-3-yl)amino)acetamido)-N-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)butanamide
CID 166518812
4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
9-[(E)-4-[6-carbamoyl-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]but-2-enyl]-8-[3-(4,4-difluoropiperidin-1-yl)propoxy]-2-(2-ethyl-5-methylpyrazol-3-yl)pyrimido[4,5-b]indole-6-carboxamide
CID 156317093
CID 157477470
CID 157477470
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
CID 158180516
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
1-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]ethanone
CID 158566802
8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159854684
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159904961
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159908285

Frequently Asked Questions

What is the IUPAC name of 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 147878472) is 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc(-c2cncc3c2oc2ccnnc23)cc(-n2c3ccc(-c4nccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccncc9)cc8c8nccnc87)cnnc6c45)cc3c3nccnc32)c1.
What is the InChIKey of 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is HZYZNLSAFCSFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H29N13O2/c1-2-7-36(35(6-1)30-12-16-56-17-13-30)32-8-10-42-37(25-32)50-55(62-23-21-60-50)68(42)43-29-64-66-51-46-44(69-53(43)51)14-18-58-47(46)33-9-11-41-38(26-33)49-54(61-22-20-59-49)67(41)34-5-3-4-31(24-34)39-27-57-28-40-48-45(70-52(39)40)15-19-63-65-48/h1-29H.
What are the key properties of 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 903.93 g/mol, XLogP of 11.69, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[5-[3-(8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-10-yl)phenyl]pyrazino[2,3-b]indol-8-yl]-6-[8-(2-pyridin-4-ylphenyl)pyrazino[2,3-b]indol-5-yl]-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 147878472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).