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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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

C119H135F3N26O16 — CID 164958300

About 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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 (PubChem CID 164958300) has the molecular formula C119H135F3N26O16 and a molecular weight of 2242.55 g/mol. Its IUPAC name is 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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.

Molecular Properties

• Compound Name: 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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
• PubChem CID: 164958300
• Molecular Formula: C119H135F3N26O16
• Molecular Weight: 2242.55 g/mol
• Exact Mass: 2241.05
• IUPAC Name: 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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
• SMILES: COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCc2c(CC3CCN(c4ccc5c(N6CCC(=O)NC6=O)n[nH]c5c4C(F)(F)F)CC3)cccc2C1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(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]c4c3)CC2)CC1
• InChI: InChI=1S/C44H48F3N7O5.C38H44N10O6.C37H43N9O5/c1-25-26(2)42(56)51(3)23-33(25)30-20-36(58-4)34(37(21-30)59-5)24-52-15-13-31-28(7-6-8-29(31)22-52)19-27-11-16-53(17-12-27)35-10-9-32-40(39(35)44(45,46)47)49-50-41(32)54-18-14-38(55)48-43(54)57;1-44-21-28(27-20-39-42-35(27)37(44)51)24-17-31(53-2)29(32(18-24)54-3)22-45-12-14-47(15-13-45)34(50)16-23-6-9-46(10-7-23)25-4-5-26-30(19-25)41-43-36(26)48-11-8-33(49)40-38(48)52;1-43-20-28(27-19-38-41-34(27)36(43)48)24-16-31(50-2)29(32(17-24)51-3)21-44-11-6-22(7-12-44)23-8-13-45(14-9-23)25-4-5-26-30(18-25)40-42-35(26)46-15-10-33(47)39-37(46)49/h6-10,20-21,23,27H,11-19,22,24H2,1-5H3,(H,49,50)(H,48,55,57);4-5,17-21,23H,6-16,22H2,1-3H3,(H,39,42)(H,41,43)(H,40,49,52);4-5,16-20,22-23H,6-15,21H2,1-3H3,(H,38,41)(H,40,42)(H,39,47,49)
• InChIKey: BLYHHUUOCNMHJY-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 452.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.55
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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?

The IUPAC name of 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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 (CID 164958300) is 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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.

What is the SMILES notation for 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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?

The canonical SMILES for 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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 is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCc2c(CC3CCN(c4ccc5c(N6CCC(=O)NC6=O)n[nH]c5c4C(F)(F)F)CC3)cccc2C1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CN1CCC(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]c4c3)CC2)CC1.

What is the InChIKey of 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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?

The InChIKey is BLYHHUUOCNMHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48F3N7O5.C38H44N10O6.C37H43N9O5/c1-25-26(2)42(56)51(3)23-33(25)30-20-36(58-4)34(37(21-30)59-5)24-52-15-13-31-28(7-6-8-29(31)22-52)19-27-11-16-53(17-12-27)35-10-9-32-40(39(35)44(45,46)47)49-50-41(32)54-18-14-38(55)48-43(54)57;1-44-21-28(27-20-39-42-35(27)37(44)51)24-17-31(53-2)29(32(18-24)54-3)22-45-12-14-47(15-13-45)34(50)16-23-6-9-46(10-7-23)25-4-5-26-30(19-25)41-43-36(26)48-11-8-33(49)40-38(48)52;1-43-20-28(27-19-38-41-34(27)36(43)48)24-16-31(50-2)29(32(17-24)51-3)21-44-11-6-22(7-12-44)23-8-13-45(14-9-23)25-4-5-26-30(18-25)40-42-35(26)46-15-10-33(47)39-37(46)49/h6-10,20-21,23,27H,11-19,22,24H2,1-5H3,(H,49,50)(H,48,55,57);4-5,17-21,23H,6-16,22H2,1-3H3,(H,39,42)(H,41,43)(H,40,49,52);4-5,16-20,22-23H,6-15,21H2,1-3H3,(H,38,41)(H,40,42)(H,39,47,49).

What are the key properties of 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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?

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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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 has a molecular weight of 2242.55 g/mol, XLogP of 14.66, 26 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;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]-1H-indazol-3-yl]-1,3-diazinane-2,4-dione;1-[6-[4-[[2-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)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 is sourced from PubChem (CID 164958300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).