4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C139H140F2N28O14S — CID 159323054

IUPAC4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOC1CN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cc(F)cc6c5C=CC6)nc4c3c2)C1.COC1CN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]c(C)cc56)nc4c3c2)C1.COC1CN(Cc2cnc3sc4c(N5CCOCC5)nc(-c5cc(F)cc6c5C=CC6)nc4c3c2)C1.Cc1cc2c(-c3nc(N4CCOCC4)c4oc5ncc(CN6CCC7(CC6)COC7)cc5c4n3)cccc2[nH]1.Cc1cc2c(-c3nc(N4CCOCC4)c4oc5ncc(CN6C[C@@H]7C[C@H]6CO7)cc5c4n3)cccc2[nH]1
InChIInChI=1S/C30H32N6O3.C28H28N6O3.C27H26FN5O3.C27H26FN5O2S.C27H28N6O3/c1-19-13-22-21(3-2-4-24(22)32-19)27-33-25-23-14-20(16-35-7-5-30(6-8-35)17-38-18-30)15-31-29(23)39-26(25)28(34-27)36-9-11-37-12-10-36;1-16-9-21-20(3-2-4-23(21)30-16)26-31-24-22-10-17(13-34-14-19-11-18(34)15-36-19)12-29-28(22)37-25(24)27(32-26)33-5-7-35-8-6-33;2*1-34-19-14-32(15-19)13-16-9-22-23-24(36-27(22)29-12-16)26(33-5-7-35-8-6-33)31-25(30-23)21-11-18(28)10-17-3-2-4-20(17)21;1-16-10-20-19(4-3-5-22(20)29-16)25-30-23-21-11-17(13-32-14-18(15-32)34-2)12-28-27(21)36-24(23)26(31-25)33-6-8-35-9-7-33/h2-4,13-15,32H,5-12,16-18H2,1H3;2-4,9-10,12,18-19,30H,5-8,11,13-15H2,1H3;2*2,4,9-12,19H,3,5-8,13-15H2,1H3;3-5,10-12,18,29H,6-9,13-15H2,1-2H3/t;18-,19-;;;/m.0.../s1
InChIKeyLDZVJSLPLSQGJX-KEKUZFEWSA-N
MW2496.89 g/mol
LogP20.70
Rot. Bonds23

About 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 159323054) has the molecular formula C139H140F2N28O14S and a molecular weight of 2496.89 g/mol. Its IUPAC name is 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID159323054
Molecular FormulaC139H140F2N28O14S
Molecular Weight2496.89 g/mol
Exact Mass2495.08
IUPAC Name4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOC1CN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cc(F)cc6c5C=CC6)nc4c3c2)C1.COC1CN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]c(C)cc56)nc4c3c2)C1.COC1CN(Cc2cnc3sc4c(N5CCOCC5)nc(-c5cc(F)cc6c5C=CC6)nc4c3c2)C1.Cc1cc2c(-c3nc(N4CCOCC4)c4oc5ncc(CN6CCC7(CC6)COC7)cc5c4n3)cccc2[nH]1.Cc1cc2c(-c3nc(N4CCOCC4)c4oc5ncc(CN6C[C@@H]7C[C@H]6CO7)cc5c4n3)cccc2[nH]1
InChIInChI=1S/C30H32N6O3.C28H28N6O3.C27H26FN5O3.C27H26FN5O2S.C27H28N6O3/c1-19-13-22-21(3-2-4-24(22)32-19)27-33-25-23-14-20(16-35-7-5-30(6-8-35)17-38-18-30)15-31-29(23)39-26(25)28(34-27)36-9-11-37-12-10-36;1-16-9-21-20(3-2-4-23(21)30-16)26-31-24-22-10-17(13-34-14-19-11-18(34)15-36-19)12-29-28(22)37-25(24)27(32-26)33-5-7-35-8-6-33;2*1-34-19-14-32(15-19)13-16-9-22-23-24(36-27(22)29-12-16)26(33-5-7-35-8-6-33)31-25(30-23)21-11-18(28)10-17-3-2-4-20(17)21;1-16-10-20-19(4-3-5-22(20)29-16)25-30-23-21-11-17(13-32-14-18(15-32)34-2)12-28-27(21)36-24(23)26(31-25)33-6-8-35-9-7-33/h2-4,13-15,32H,5-12,16-18H2,1H3;2-4,9-10,12,18-19,30H,5-8,11,13-15H2,1H3;2*2,4,9-12,19H,3,5-8,13-15H2,1H3;3-5,10-12,18,29H,6-9,13-15H2,1-2H3/t;18-,19-;;;/m.0.../s1
InChIKeyLDZVJSLPLSQGJX-KEKUZFEWSA-N
XLogP20.70
TPSA417.98 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds23
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.89
LogP ≤ 520.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Analyze 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 159323054) is 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is COC1CN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cc(F)cc6c5C=CC6)nc4c3c2)C1.COC1CN(Cc2cnc3oc4c(N5CCOCC5)nc(-c5cccc6[nH]c(C)cc56)nc4c3c2)C1.COC1CN(Cc2cnc3sc4c(N5CCOCC5)nc(-c5cc(F)cc6c5C=CC6)nc4c3c2)C1.Cc1cc2c(-c3nc(N4CCOCC4)c4oc5ncc(CN6CCC7(CC6)COC7)cc5c4n3)cccc2[nH]1.Cc1cc2c(-c3nc(N4CCOCC4)c4oc5ncc(CN6C[C@@H]7C[C@H]6CO7)cc5c4n3)cccc2[nH]1.
What is the InChIKey of 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is LDZVJSLPLSQGJX-KEKUZFEWSA-N. The full InChI is InChI=1S/C30H32N6O3.C28H28N6O3.C27H26FN5O3.C27H26FN5O2S.C27H28N6O3/c1-19-13-22-21(3-2-4-24(22)32-19)27-33-25-23-14-20(16-35-7-5-30(6-8-35)17-38-18-30)15-31-29(23)39-26(25)28(34-27)36-9-11-37-12-10-36;1-16-9-21-20(3-2-4-23(21)30-16)26-31-24-22-10-17(13-34-14-19-11-18(34)15-36-19)12-29-28(22)37-25(24)27(32-26)33-5-7-35-8-6-33;2*1-34-19-14-32(15-19)13-16-9-22-23-24(36-27(22)29-12-16)26(33-5-7-35-8-6-33)31-25(30-23)21-11-18(28)10-17-3-2-4-20(17)21;1-16-10-20-19(4-3-5-22(20)29-16)25-30-23-21-11-17(13-32-14-18(15-32)34-2)12-28-27(21)36-24(23)26(31-25)33-6-8-35-9-7-33/h2-4,13-15,32H,5-12,16-18H2,1H3;2-4,9-10,12,18-19,30H,5-8,11,13-15H2,1H3;2*2,4,9-12,19H,3,5-8,13-15H2,1H3;3-5,10-12,18,29H,6-9,13-15H2,1-2H3/t;18-,19-;;;/m.0.../s1.
What are the key properties of 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2496.89 g/mol, XLogP of 20.70, 23 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)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;4-[4-(6-fluoro-1H-inden-4-yl)-12-[(3-methoxyazetidin-1-yl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine;12-[(3-methoxyazetidin-1-yl)methyl]-4-(2-methyl-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-(2-methyl-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;4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-12-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 159323054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).