2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one

C120H160F4N14O11 — CID 159057251

About 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one

2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 159057251) has the molecular formula C120H160F4N14O11 and a molecular weight of 2050.68 g/mol. Its IUPAC name is 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
• PubChem CID: 159057251
• Molecular Formula: C120H160F4N14O11
• Molecular Weight: 2050.68 g/mol
• Exact Mass: 2049.23
• IUPAC Name: 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
• SMILES: CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1c(C)nn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1c(F)nn2C)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)CC(F)(F)F)CC1.CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2CC1CCOC1)C1CCOCC1
• InChI: InChI=1S/C31H41F3N4O2.C31H44N4O2.C31H41N3O4.C27H34FN3O3/c1-7-38(23-10-8-22(9-11-23)36(5)18-31(32,33)34)30-21(4)25(16-27-26(30)17-35-37(27)6)28(39)13-12-24-20(3)14-19(2)15-29(24)40;1-9-35(24-12-10-23(11-13-24)33(6)7)31-21(4)26(18-27-30(31)22(5)32-34(27)8)28(36)15-14-25-20(3)16-19(2)17-29(25)37;1-5-33(24-9-12-37-13-10-24)31-22(4)26(29(35)7-6-25-21(3)14-20(2)15-30(25)36)16-28-27(31)17-32-34(28)18-23-8-11-38-19-23;1-6-31(19-9-11-34-12-10-19)26-18(4)21(15-22-25(26)27(28)29-30(22)5)23(32)8-7-20-17(3)13-16(2)14-24(20)33/h14,16-17,22-23H,7-13,15,18H2,1-6H3;16,18,23-24H,9-15,17H2,1-8H3;14,16-17,23-24H,5-13,15,18-19H2,1-4H3;13,15,19H,6-12,14H2,1-5H3
• InChIKey: JXZYVKBNRTYLGQ-UHFFFAOYSA-N
• XLogP: 23.61
• TPSA: 254.97 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 33
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.68
LogP ≤ 5	23.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

The IUPAC name of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one (CID 159057251) is 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one.

What is the SMILES notation for 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

The canonical SMILES for 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one is CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1c(C)nn2C)C1CCC(N(C)C)CC1.CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1c(F)nn2C)C1CCOCC1.CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2C)C1CCC(N(C)CC(F)(F)F)CC1.CCN(c1c(C)c(C(=O)CCC2=C(C)C=C(C)CC2=O)cc2c1cnn2CC1CCOC1)C1CCOCC1.

What is the InChIKey of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

The InChIKey is JXZYVKBNRTYLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F3N4O2.C31H44N4O2.C31H41N3O4.C27H34FN3O3/c1-7-38(23-10-8-22(9-11-23)36(5)18-31(32,33)34)30-21(4)25(16-27-26(30)17-35-37(27)6)28(39)13-12-24-20(3)14-19(2)15-29(24)40;1-9-35(24-12-10-23(11-13-24)33(6)7)31-21(4)26(18-27-30(31)22(5)32-34(27)8)28(36)15-14-25-20(3)16-19(2)17-29(25)37;1-5-33(24-9-12-37-13-10-24)31-22(4)26(29(35)7-6-25-21(3)14-20(2)15-30(25)36)16-28-27(31)17-32-34(28)18-23-8-11-38-19-23;1-6-31(19-9-11-34-12-10-19)26-18(4)21(15-22-25(26)27(28)29-30(22)5)23(32)8-7-20-17(3)13-16(2)14-24(20)33/h14,16-17,22-23H,7-13,15,18H2,1-6H3;16,18,23-24H,9-15,17H2,1-8H3;14,16-17,23-24H,5-13,15,18-19H2,1-4H3;13,15,19H,6-12,14H2,1-5H3.

What are the key properties of 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 2050.68 g/mol, XLogP of 23.61, 33 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-1,3,5-trimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one;2-[3-[4-[ethyl(oxan-4-yl)amino]-5-methyl-1-(oxolan-3-ylmethyl)indazol-6-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 159057251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).