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

C29H38F2N6O2 — CID 137484834

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

4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (PubChem CID 137484834) has the molecular formula C29H38F2N6O2 and a molecular weight of 540.66 g/mol. Its IUPAC name is 4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
• PubChem CID: 137484834
• Molecular Formula: C29H38F2N6O2
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.30
• IUPAC Name: 4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
• SMILES: CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(N2CC(F)(F)C2)CC1
• InChI: InChI=1S/C29H38F2N6O2/c1-6-37(21-9-7-20(8-10-21)36-15-29(30,31)16-36)26-19(4)22(12-25-24(26)14-33-35(25)5)27(38)32-13-23-17(2)11-18(3)34-28(23)39/h11-12,14,20-21H,6-10,13,15-16H2,1-5H3,(H,32,38)(H,34,39)
• InChIKey: RWJJYLGVWBBZFE-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 86.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (CID 137484834) is 4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.

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

The canonical SMILES for 4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1cnn2C)C1CCC(N2CC(F)(F)C2)CC1.

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

The InChIKey is RWJJYLGVWBBZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F2N6O2/c1-6-37(21-9-7-20(8-10-21)36-15-29(30,31)16-36)26-19(4)22(12-25-24(26)14-33-35(25)5)27(38)32-13-23-17(2)11-18(3)34-28(23)39/h11-12,14,20-21H,6-10,13,15-16H2,1-5H3,(H,32,38)(H,34,39).

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

4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide has a molecular weight of 540.66 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 137484834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).