2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride

C120H103Cl4F12N15O9 — CID 160816896

About 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride

2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride (PubChem CID 160816896) has the molecular formula C120H103Cl4F12N15O9 and a molecular weight of 2269.03 g/mol. Its IUPAC name is 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride.

Molecular Properties

• Compound Name: 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride
• PubChem CID: 160816896
• Molecular Formula: C120H103Cl4F12N15O9
• Molecular Weight: 2269.03 g/mol
• Exact Mass: 2265.66
• IUPAC Name: 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride
• SMILES: CCOC(=O)c1ccc2[nH]c3c(O[C@@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.CN(C)CCOc1c2[nH]c3ccc(F)cc3c2c(Cl)c2c1[nH]c1ccc(F)cc12.Cl.Cl.Cl.Fc1ccc2[nH]c3c(OCC4CCCN4)c4[nH]c5ccc(F)cc5c4c(C(F)(F)F)c3c2c1.Fc1ccc2[nH]c3c(OCC4CCCN4)c4[nH]c5ccc(F)cc5c4cc3c2c1.Fc1ccc2[nH]c3c(OC[C@@H]4C[C@H](F)CN4)c4[nH]c5ccc(F)cc5c4cc3c2c1
• InChI: InChI=1S/C28H27N3O5.C24H18F5N3O.C23H18F3N3O.C23H19F2N3O.C22H18ClF2N3O.3ClH/c1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17;25-11-3-5-16-14(8-11)18-20(24(27,28)29)19-15-9-12(26)4-6-17(15)32-22(19)23(21(18)31-16)33-10-13-2-1-7-30-13;24-11-1-3-19-15(6-11)17-8-18-16-7-12(25)2-4-20(16)29-22(18)23(21(17)28-19)30-10-14-5-13(26)9-27-14;24-12-3-5-19-15(8-12)17-10-18-16-9-13(25)4-6-20(16)28-22(18)23(21(17)27-19)29-11-14-2-1-7-26-14;1-28(2)7-8-29-22-20-17(13-9-11(24)3-5-15(13)26-20)19(23)18-14-10-12(25)4-6-16(14)27-21(18)22;;;/h5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3;3-6,8-9,13,30-32H,1-2,7,10H2;1-4,6-8,13-14,27-29H,5,9-10H2;3-6,8-10,14,26-28H,1-2,7,11H2;3-6,9-10,26-27H,7-8H2,1-2H3;3*1H/t17-;;13-,14-;;;;;/m1.0...../s1
• InChIKey: OLYFQPRGKJPBCZ-CGQBXHPXSA-N
• XLogP: 29.20
• TPSA: 308.01 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2269.03
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride?

The IUPAC name of 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride (CID 160816896) is 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride.

What is the SMILES notation for 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride?

The canonical SMILES for 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride is CCOC(=O)c1ccc2[nH]c3c(O[C@@H]4CCNC4)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1.CN(C)CCOc1c2[nH]c3ccc(F)cc3c2c(Cl)c2c1[nH]c1ccc(F)cc12.Cl.Cl.Cl.Fc1ccc2[nH]c3c(OCC4CCCN4)c4[nH]c5ccc(F)cc5c4c(C(F)(F)F)c3c2c1.Fc1ccc2[nH]c3c(OCC4CCCN4)c4[nH]c5ccc(F)cc5c4cc3c2c1.Fc1ccc2[nH]c3c(OC[C@@H]4C[C@H](F)CN4)c4[nH]c5ccc(F)cc5c4cc3c2c1.

What is the InChIKey of 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride?

The InChIKey is OLYFQPRGKJPBCZ-CGQBXHPXSA-N. The full InChI is InChI=1S/C28H27N3O5.C24H18F5N3O.C23H18F3N3O.C23H19F2N3O.C22H18ClF2N3O.3ClH/c1-3-34-27(32)15-5-7-22-18(11-15)20-13-21-19-12-16(28(33)35-4-2)6-8-23(19)31-25(21)26(24(20)30-22)36-17-9-10-29-14-17;25-11-3-5-16-14(8-11)18-20(24(27,28)29)19-15-9-12(26)4-6-17(15)32-22(19)23(21(18)31-16)33-10-13-2-1-7-30-13;24-11-1-3-19-15(6-11)17-8-18-16-7-12(25)2-4-20(16)29-22(18)23(21(17)28-19)30-10-14-5-13(26)9-27-14;24-12-3-5-19-15(8-12)17-10-18-16-9-13(25)4-6-20(16)28-22(18)23(21(17)27-19)29-11-14-2-1-7-26-14;1-28(2)7-8-29-22-20-17(13-9-11(24)3-5-15(13)26-20)19(23)18-14-10-12(25)4-6-16(14)27-21(18)22;;;/h5-8,11-13,17,29-31H,3-4,9-10,14H2,1-2H3;3-6,8-9,13,30-32H,1-2,7,10H2;1-4,6-8,13-14,27-29H,5,9-10H2;3-6,8-10,14,26-28H,1-2,7,11H2;3-6,9-10,26-27H,7-8H2,1-2H3;3*1H/t17-;;13-,14-;;;;;/m1.0...../s1.

What are the key properties of 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride?

2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride has a molecular weight of 2269.03 g/mol, XLogP of 29.20, 19 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(12-chloro-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;diethyl 6-[(3R)-pyrrolidin-3-yl]oxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate;2,10-difluoro-6-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-5,7-dihydroindolo[2,3-b]carbazole;2,10-difluoro-6-(pyrrolidin-2-ylmethoxy)-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole;trihydrochloride is sourced from PubChem (CID 160816896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).