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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide

C120H134F3N29O17 — CID 164984757

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 164984757) has the molecular formula C120H134F3N29O17 and a molecular weight of 2311.57 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide.

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 164984757
• Molecular Formula: C120H134F3N29O17
• Molecular Weight: 2311.57 g/mol
• Exact Mass: 2310.05
• 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CC2CCN(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]c5c4)CC3)cccc2C1
• InChI: InChI=1S/C42H45N9O5.C39H43F3N10O6.C39H46N10O6/c1-48-23-33(32-21-43-46-39(32)41(48)53)28-18-36(55-2)34(37(19-28)56-3)24-49-13-11-30-26(5-4-6-27(30)22-49)17-25-9-14-50(15-10-25)29-7-8-31-35(20-29)45-47-40(31)51-16-12-38(52)44-42(51)54;1-48-20-26(25-19-43-45-35(25)37(48)55)23-17-29(57-2)27(30(18-23)58-3)21-49-12-14-51(15-13-49)32(54)16-22-6-9-50(10-7-22)28-5-4-24-34(33(28)39(40,41)42)46-47-36(24)52-11-8-31(53)44-38(52)56;1-45-21-29(28-20-40-43-35(28)38(45)52)24-17-32(54-3)30(33(18-24)55-4)22-47-12-9-25(10-13-47)46(2)37(51)23-7-14-48(15-8-23)26-5-6-27-31(19-26)42-44-36(27)49-16-11-34(50)41-39(49)53/h4-8,18-21,23,25H,9-17,22,24H2,1-3H3,(H,43,46)(H,45,47)(H,44,52,54);4-5,17-20,22H,6-16,21H2,1-3H3,(H,43,45)(H,46,47)(H,44,53,56);5-6,17-21,23,25H,7-16,22H2,1-4H3,(H,40,43)(H,42,44)(H,41,50,53)
• InChIKey: FZPJHEOTQWIPKA-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 501.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2311.57
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide (CID 164984757) 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide.

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCN(C(=O)CC2CCN(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]c5c4)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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

The InChIKey is FZPJHEOTQWIPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N9O5.C39H43F3N10O6.C39H46N10O6/c1-48-23-33(32-21-43-46-39(32)41(48)53)28-18-36(55-2)34(37(19-28)56-3)24-49-13-11-30-26(5-4-6-27(30)22-49)17-25-9-14-50(15-10-25)29-7-8-31-35(20-29)45-47-40(31)51-16-12-38(52)44-42(51)54;1-48-20-26(25-19-43-45-35(25)37(48)55)23-17-29(57-2)27(30(18-23)58-3)21-49-12-14-51(15-13-49)32(54)16-22-6-9-50(10-7-22)28-5-4-24-34(33(28)39(40,41)42)46-47-36(24)52-11-8-31(53)44-38(52)56;1-45-21-29(28-20-40-43-35(28)38(45)52)24-17-32(54-3)30(33(18-24)55-4)22-47-12-9-25(10-13-47)46(2)37(51)23-7-14-48(15-8-23)26-5-6-27-31(19-26)42-44-36(27)49-16-11-34(50)41-39(49)53/h4-8,18-21,23,25H,9-17,22,24H2,1-3H3,(H,43,46)(H,45,47)(H,44,52,54);4-5,17-20,22H,6-16,21H2,1-3H3,(H,43,45)(H,46,47)(H,44,53,56);5-6,17-21,23,25H,7-16,22H2,1-4H3,(H,40,43)(H,42,44)(H,41,50,53).

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 2311.57 g/mol, XLogP of 13.13, 27 rotatable bonds, 9 hydrogen bond donors, and 32 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[2-[4-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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)-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 164984757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).