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

C30H41F3N6O2 — CID 155062702

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

N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide (PubChem CID 155062702) has the molecular formula C30H41F3N6O2 and a molecular weight of 574.69 g/mol. Its IUPAC name is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide
• PubChem CID: 155062702
• Molecular Formula: C30H41F3N6O2
• Molecular Weight: 574.69 g/mol
• Exact Mass: 574.32
• IUPAC Name: N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide
• SMILES: CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(cnn2C)c(N(CC)C2CCC(N(C)CC(F)(F)F)CC2)c1C
• InChI: InChI=1S/C30H41F3N6O2/c1-7-20-13-18(3)36-29(41)24(20)15-34-28(40)23-14-26-25(16-35-38(26)6)27(19(23)4)39(8-2)22-11-9-21(10-12-22)37(5)17-30(31,32)33/h13-14,16,21-22H,7-12,15,17H2,1-6H3,(H,34,40)(H,36,41)
• InChIKey: XKYSXMBYZRKXDV-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 86.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.69
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide (CID 155062702) is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide.

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

The canonical SMILES for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide is CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(cnn2C)c(N(CC)C2CCC(N(C)CC(F)(F)F)CC2)c1C.

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

The InChIKey is XKYSXMBYZRKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3N6O2/c1-7-20-13-18(3)36-29(41)24(20)15-34-28(40)23-14-26-25(16-35-38(26)6)27(19(23)4)39(8-2)22-11-9-21(10-12-22)37(5)17-30(31,32)33/h13-14,16,21-22H,7-12,15,17H2,1-6H3,(H,34,40)(H,36,41).

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

N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide has a molecular weight of 574.69 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 155062702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).