1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione

C121H131F9N28O16 — CID 164976847

About 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione

1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 164976847) has the molecular formula C121H131F9N28O16 and a molecular weight of 2404.54 g/mol. Its IUPAC name is 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 164976847
• Molecular Formula: C121H131F9N28O16
• Molecular Weight: 2404.54 g/mol
• Exact Mass: 2403.02
• IUPAC Name: 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCc2c(CC3CCN(c4ccc5c(N6CCC(=O)NC6=O)n[nH]c5c4C(F)(F)F)CC3)cccc2C1
• InChI: InChI=1S/C43H44F3N9O5.C40H45F3N10O6.C38H42F3N9O5/c1-52-22-31(30-20-47-49-39(30)41(52)57)27-18-34(59-2)32(35(19-27)60-3)23-53-13-11-28-25(5-4-6-26(28)21-53)17-24-9-14-54(15-10-24)33-8-7-29-38(37(33)43(44,45)46)50-51-40(29)55-16-12-36(56)48-42(55)58;1-49-20-27(26-19-44-46-35(26)38(49)56)23-17-30(58-3)28(31(18-23)59-4)21-51-12-9-24(10-13-51)50(2)37(55)22-7-14-52(15-8-22)29-6-5-25-34(33(29)40(41,42)43)47-48-36(25)53-16-11-32(54)45-39(53)57;1-47-19-26(25-18-42-44-34(25)36(47)52)23-16-29(54-2)27(30(17-23)55-3)20-48-11-6-21(7-12-48)22-8-13-49(14-9-22)28-5-4-24-33(32(28)38(39,40)41)45-46-35(24)50-15-10-31(51)43-37(50)53/h4-8,18-20,22,24H,9-17,21,23H2,1-3H3,(H,47,49)(H,50,51)(H,48,56,58);5-6,17-20,22,24H,7-16,21H2,1-4H3,(H,44,46)(H,47,48)(H,45,54,57);4-5,16-19,21-22H,6-15,20H2,1-3H3,(H,42,44)(H,45,46)(H,43,51,53)
• InChIKey: DXIYMKNYLNYHDK-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 481.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2404.54
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione (CID 164976847) is 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCc2c(CC3CCN(c4ccc5c(N6CCC(=O)NC6=O)n[nH]c5c4C(F)(F)F)CC3)cccc2C1.

What is the InChIKey of 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?

The InChIKey is DXIYMKNYLNYHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44F3N9O5.C40H45F3N10O6.C38H42F3N9O5/c1-52-22-31(30-20-47-49-39(30)41(52)57)27-18-34(59-2)32(35(19-27)60-3)23-53-13-11-28-25(5-4-6-26(28)21-53)17-24-9-14-54(15-10-24)33-8-7-29-38(37(33)43(44,45)46)50-51-40(29)55-16-12-36(56)48-42(55)58;1-49-20-27(26-19-44-46-35(26)38(49)56)23-17-30(58-3)28(31(18-23)59-4)21-51-12-9-24(10-13-51)50(2)37(55)22-7-14-52(15-8-22)29-6-5-25-34(33(29)40(41,42)43)47-48-36(25)53-16-11-32(54)45-39(53)57;1-47-19-26(25-18-42-44-34(25)36(47)52)23-16-29(54-2)27(30(17-23)55-3)20-48-11-6-21(7-12-48)22-8-13-49(14-9-22)28-5-4-24-33(32(28)38(39,40)41)45-46-35(24)50-15-10-31(51)43-37(50)53/h4-8,18-20,22,24H,9-17,21,23H2,1-3H3,(H,47,49)(H,50,51)(H,48,56,58);5-6,17-20,22,24H,7-16,21H2,1-4H3,(H,44,46)(H,47,48)(H,45,54,57);4-5,16-19,21-22H,6-15,20H2,1-3H3,(H,42,44)(H,45,46)(H,43,51,53).

What are the key properties of 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?

1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 2404.54 g/mol, XLogP of 16.35, 26 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-yl]methyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;N-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-(trifluoromethyl)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide;1-[6-[4-[1-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 164976847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).