3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

C113H131F6N23O16 — CID 165101757

About 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (PubChem CID 165101757) has the molecular formula C113H131F6N23O16 and a molecular weight of 2181.42 g/mol. Its IUPAC name is 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
• PubChem CID: 165101757
• Molecular Formula: C113H131F6N23O16
• Molecular Weight: 2181.42 g/mol
• Exact Mass: 2180.00
• IUPAC Name: 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(NCC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.Cn1cc(-c2ccc(CN3CCC(C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5C(F)(F)F)CC4)CC3)c(OC(F)(F)F)c2)c2cn[nH]c2c1=O
• InChI: InChI=1S/C39H48N8O6.C37H39F6N7O4.C37H44N8O6/c1-45-22-30(29-20-41-44-37(29)39(45)51)26-18-33(52-2)31(34(19-26)53-3)23-46-14-12-27(13-15-46)40-21-36(49)47-16-10-25(11-17-47)24-4-6-28(7-5-24)42-32-8-9-35(48)43-38(32)50;1-48-20-27(26-18-44-47-33(26)35(48)53)23-2-3-24(31(16-23)54-37(41,42)43)19-49-12-8-21(9-13-49)22-10-14-50(15-11-22)30-6-4-25(17-28(30)36(38,39)40)45-29-5-7-32(51)46-34(29)52;1-42-21-28(27-20-38-41-34(27)36(42)48)25-18-31(50-2)29(32(19-25)51-3)22-43-14-16-45(17-15-43)37(49)44-12-10-24(11-13-44)23-4-6-26(7-5-23)39-30-8-9-33(46)40-35(30)47/h4-7,18-20,22,25,27,32,40,42H,8-17,21,23H2,1-3H3,(H,41,44)(H,43,48,50);2-4,6,16-18,20-22,29,45H,5,7-15,19H2,1H3,(H,44,47)(H,46,51,52);4-7,18-21,24,30,39H,8-17,22H2,1-3H3,(H,38,41)(H,40,46,47)
• InChIKey: YLHHEZUCFNOEFI-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 441.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.42
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

The IUPAC name of 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (CID 165101757) is 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(NCC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.Cn1cc(-c2ccc(CN3CCC(C4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5C(F)(F)F)CC4)CC3)c(OC(F)(F)F)c2)c2cn[nH]c2c1=O.

What is the InChIKey of 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

The InChIKey is YLHHEZUCFNOEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48N8O6.C37H39F6N7O4.C37H44N8O6/c1-45-22-30(29-20-41-44-37(29)39(45)51)26-18-33(52-2)31(34(19-26)53-3)23-46-14-12-27(13-15-46)40-21-36(49)47-16-10-25(11-17-47)24-4-6-28(7-5-24)42-32-8-9-35(48)43-38(32)50;1-48-20-27(26-18-44-47-33(26)35(48)53)23-2-3-24(31(16-23)54-37(41,42)43)19-49-12-8-21(9-13-49)22-10-14-50(15-11-22)30-6-4-25(17-28(30)36(38,39)40)45-29-5-7-32(51)46-34(29)52;1-42-21-28(27-20-38-41-34(27)36(42)48)25-18-31(50-2)29(32(19-25)51-3)22-43-14-16-45(17-15-43)37(49)44-12-10-24(11-13-44)23-4-6-26(7-5-23)39-30-8-9-33(46)40-35(30)47/h4-7,18-20,22,25,27,32,40,42H,8-17,21,23H2,1-3H3,(H,41,44)(H,43,48,50);2-4,6,16-18,20-22,29,45H,5,7-15,19H2,1H3,(H,44,47)(H,46,51,52);4-7,18-21,24,30,39H,8-17,22H2,1-3H3,(H,38,41)(H,40,46,47).

What are the key properties of 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione has a molecular weight of 2181.42 g/mol, XLogP of 12.59, 27 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carbonyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[1-[2-[[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]amino]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 165101757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).