4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide

C29H40F2N6O2 — CID 162678240

About 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide

4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (PubChem CID 162678240) has the molecular formula C29H40F2N6O2 and a molecular weight of 542.68 g/mol. Its IUPAC name is 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
• PubChem CID: 162678240
• Molecular Formula: C29H40F2N6O2
• Molecular Weight: 542.68 g/mol
• Exact Mass: 542.32
• IUPAC Name: 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
• SMILES: CCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2c1cnn2C)C1CCC(N(C)CC(F)F)CC1
• InChI: InChI=1S/C29H40F2N6O2/c1-7-37(21-10-8-20(9-11-21)35(5)16-26(30)31)27-19(4)22(13-25-24(27)15-33-36(25)6)28(38)32-14-23-17(2)12-18(3)34-29(23)39/h12-13,15,20-21,23,26H,7-11,14,16H2,1-6H3,(H,32,38)
• InChIKey: ONJRTMPSBJEMJO-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 82.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.68
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?

The IUPAC name of 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (CID 162678240) is 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.

What is the SMILES notation for 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?

The canonical SMILES for 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2c1cnn2C)C1CCC(N(C)CC(F)F)CC1.

What is the InChIKey of 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?

The InChIKey is ONJRTMPSBJEMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40F2N6O2/c1-7-37(21-10-8-20(9-11-21)35(5)16-26(30)31)27-19(4)22(13-25-24(27)15-33-36(25)6)28(38)32-14-23-17(2)12-18(3)34-29(23)39/h12-13,15,20-21,23,26H,7-11,14,16H2,1-6H3,(H,32,38).

What are the key properties of 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?

4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide has a molecular weight of 542.68 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[2,2-difluoroethyl(methyl)amino]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 162678240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).