1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione

C127H130F5N25O14 — CID 164991047

About 1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione

1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 164991047) has the molecular formula C127H130F5N25O14 and a molecular weight of 2325.59 g/mol. Its IUPAC name is 1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 164991047
• Molecular Formula: C127H130F5N25O14
• Molecular Weight: 2325.59 g/mol
• Exact Mass: 2324.01
• IUPAC Name: 1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCN(C(=O)CC2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCc2c(CC3CCN(c4ccc5c(N6CCC(=O)NC6=O)n[nH]c5c4)CC3)cccc2C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCc2c(CC3CCN(c4ccc5c(N6CCC(=O)NC6=O)n[nH]c5c4)CC3)cccc2C1
• InChI: InChI=1S/C44H46N8O5.C43H43FN8O4.C40H41F4N9O5/c1-49-25-36(33-9-14-45-23-35(33)43(49)54)30-20-39(56-2)37(40(21-30)57-3)26-50-15-12-32-28(5-4-6-29(32)24-50)19-27-10-16-51(17-11-27)31-7-8-34-38(22-31)47-48-42(34)52-18-13-41(53)46-44(52)55;1-49-24-35(32-8-13-45-22-34(32)42(49)54)29-19-37(44)36(39(20-29)56-2)25-50-14-11-31-27(4-3-5-28(31)23-50)18-26-9-15-51(16-10-26)30-6-7-33-38(21-30)47-48-41(33)52-17-12-40(53)46-43(52)55;1-49-21-28(25-5-9-45-20-27(25)38(49)56)24-18-30(41)29(32(19-24)58-2)22-50-13-15-52(16-14-50)34(55)17-23-6-10-51(11-7-23)31-4-3-26-36(35(31)40(42,43)44)47-48-37(26)53-12-8-33(54)46-39(53)57/h4-9,14,20-23,25,27H,10-13,15-19,24,26H2,1-3H3,(H,47,48)(H,46,53,55);3-8,13,19-22,24,26H,9-12,14-18,23,25H2,1-2H3,(H,47,48)(H,46,53,55);3-5,9,18-21,23H,6-8,10-17,22H2,1-2H3,(H,47,48)(H,46,54,57)
• InChIKey: GVXKNVQYLARNNI-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 415.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.59
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione (CID 164991047) is 1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]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-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCN(C(=O)CC2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3C(F)(F)F)CC2)CC1.COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(F)c1CN1CCc2c(CC3CCN(c4ccc5c(N6CCC(=O)NC6=O)n[nH]c5c4)CC3)cccc2C1.COc1cc(-c2cn(C)c(=O)c3cnccc23)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-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?

The InChIKey is GVXKNVQYLARNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N8O5.C43H43FN8O4.C40H41F4N9O5/c1-49-25-36(33-9-14-45-23-35(33)43(49)54)30-20-39(56-2)37(40(21-30)57-3)26-50-15-12-32-28(5-4-6-29(32)24-50)19-27-10-16-51(17-11-27)31-7-8-34-38(22-31)47-48-42(34)52-18-13-41(53)46-44(52)55;1-49-24-35(32-8-13-45-22-34(32)42(49)54)29-19-37(44)36(39(20-29)56-2)25-50-14-11-31-27(4-3-5-28(31)23-50)18-26-9-15-51(16-10-26)30-6-7-33-38(21-30)47-48-41(33)52-17-12-40(53)46-43(52)55;1-49-21-28(25-5-9-45-20-27(25)38(49)56)24-18-30(41)29(32(19-24)58-2)22-50-13-15-52(16-14-50)34(55)17-23-6-10-51(11-7-23)31-4-3-26-36(35(31)40(42,43)44)47-48-37(26)53-12-8-33(54)46-39(53)57/h4-9,14,20-23,25,27H,10-13,15-19,24,26H2,1-3H3,(H,47,48)(H,46,53,55);3-8,13,19-22,24,26H,9-12,14-18,23,25H2,1-2H3,(H,47,48)(H,46,53,55);3-5,9,18-21,23H,6-8,10-17,22H2,1-2H3,(H,47,48)(H,46,54,57).

What are the key properties of 1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione?

1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 2325.59 g/mol, XLogP of 17.09, 25 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-[[2-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-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-fluoro-6-methoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]-7-(trifluoromethyl)-1H-indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 164991047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).