N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

C164H192F6N30O25 — CID 159355647

About N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione

N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 159355647) has the molecular formula C164H192F6N30O25 and a molecular weight of 3097.51 g/mol. Its IUPAC name is N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

• Compound Name: N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
• PubChem CID: 159355647
• Molecular Formula: C164H192F6N30O25
• Molecular Weight: 3097.51 g/mol
• Exact Mass: 3095.46
• IUPAC Name: N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
• SMILES: CCN(C)C(=O)C(=O)c1cn(C)c2nc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.CNC(=O)C(=O)c1cn(C)c2nc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N(C)C)cn2C.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N1CCCC1)cn2C.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N1CC[C@H](O)C1)cn2C.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(N)=O)cn2C
• InChI: InChI=1S/C29H34FN5O5.C29H34FN5O4.C28H34FN5O4.C27H32FN5O4.C26H30FN5O4.C25H28FN5O4/c1-17-13-35(18(2)12-34(17)14-19-5-7-20(30)8-6-19)28(38)23-11-22-24(16-32(3)26(22)31-27(23)40-4)25(37)29(39)33-10-9-21(36)15-33;1-18-15-35(19(2)14-34(18)16-20-7-9-21(30)10-8-20)28(37)23-13-22-24(17-32(3)26(22)31-27(23)39-4)25(36)29(38)33-11-5-6-12-33;1-7-31(4)28(37)24(35)23-16-32(5)25-21(23)12-22(26(30-25)38-6)27(36)34-14-17(2)33(13-18(34)3)15-19-8-10-20(29)11-9-19;1-16-13-33(17(2)12-32(16)14-18-7-9-19(28)10-8-18)26(35)21-11-20-22(23(34)27(36)30(3)4)15-31(5)24(20)29-25(21)37-6;1-15-12-32(16(2)11-31(15)13-17-6-8-18(27)9-7-17)26(35)20-10-19-21(22(33)24(34)28-3)14-30(4)23(19)29-25(20)36-5;1-14-11-31(15(2)10-30(14)12-16-5-7-17(26)8-6-16)25(34)19-9-18-20(21(32)22(27)33)13-29(3)23(18)28-24(19)35-4/h5-8,11,16-18,21,36H,9-10,12-15H2,1-4H3;7-10,13,17-19H,5-6,11-12,14-16H2,1-4H3;8-12,16-18H,7,13-15H2,1-6H3;7-11,15-17H,12-14H2,1-6H3;6-10,14-16H,11-13H2,1-5H3,(H,28,34);5-9,13-15H,10-12H2,1-4H3,(H2,27,33)/t17-,18+,21-;18-,19+;17-,18+;16-,17+;15-,16+;14-,15+/m000000/s1
• InChIKey: LHWRACOGRICIMR-VHUXTPGUSA-N
• XLogP: 15.85
• TPSA: 579.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 37
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3097.51
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?

The IUPAC name of N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione (CID 159355647) is N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

What is the SMILES notation for N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?

The canonical SMILES for N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is CCN(C)C(=O)C(=O)c1cn(C)c2nc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.CNC(=O)C(=O)c1cn(C)c2nc(OC)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N(C)C)cn2C.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N1CCCC1)cn2C.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N1CC[C@H](O)C1)cn2C.COc1nc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(N)=O)cn2C.

What is the InChIKey of N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?

The InChIKey is LHWRACOGRICIMR-VHUXTPGUSA-N. The full InChI is InChI=1S/C29H34FN5O5.C29H34FN5O4.C28H34FN5O4.C27H32FN5O4.C26H30FN5O4.C25H28FN5O4/c1-17-13-35(18(2)12-34(17)14-19-5-7-20(30)8-6-19)28(38)23-11-22-24(16-32(3)26(22)31-27(23)40-4)25(37)29(39)33-10-9-21(36)15-33;1-18-15-35(19(2)14-34(18)16-20-7-9-21(30)10-8-20)28(37)23-13-22-24(17-32(3)26(22)31-27(23)39-4)25(36)29(38)33-11-5-6-12-33;1-7-31(4)28(37)24(35)23-16-32(5)25-21(23)12-22(26(30-25)38-6)27(36)34-14-17(2)33(13-18(34)3)15-19-8-10-20(29)11-9-19;1-16-13-33(17(2)12-32(16)14-18-7-9-19(28)10-8-18)26(35)21-11-20-22(23(34)27(36)30(3)4)15-31(5)24(20)29-25(21)37-6;1-15-12-32(16(2)11-31(15)13-17-6-8-18(27)9-7-17)26(35)20-10-19-21(22(33)24(34)28-3)14-30(4)23(19)29-25(20)36-5;1-14-11-31(15(2)10-30(14)12-16-5-7-17(26)8-6-16)25(34)19-9-18-20(21(32)22(27)33)13-29(3)23(18)28-24(19)35-4/h5-8,11,16-18,21,36H,9-10,12-15H2,1-4H3;7-10,13,17-19H,5-6,11-12,14-16H2,1-4H3;8-12,16-18H,7,13-15H2,1-6H3;7-11,15-17H,12-14H2,1-6H3;6-10,14-16H,11-13H2,1-5H3,(H,28,34);5-9,13-15H,10-12H2,1-4H3,(H2,27,33)/t17-,18+,21-;18-,19+;17-,18+;16-,17+;15-,16+;14-,15+/m000000/s1.

What are the key properties of N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione?

N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 3097.51 g/mol, XLogP of 15.85, 37 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethane-1,2-dione;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 159355647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).