About 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 119098917) has the molecular formula C25H26F3N5O2
and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.
Molecular Properties
| Compound Name | 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid |
|---|
| PubChem CID | 119098917 |
|---|
| Molecular Formula | C25H26F3N5O2 |
|---|
| Molecular Weight | 485.51 g/mol |
|---|
| Exact Mass | 485.20 |
|---|
| IUPAC Name | 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid |
|---|
| SMILES | Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NCC3CCC(C(=O)O)CC3)nc2)c1 |
|---|
| InChI | InChI=1S/C25H26F3N5O2/c1-15-10-20(32-23(11-15)33-22-12-19(8-9-29-22)25(26,27)28)18-6-7-21(31-14-18)30-13-16-2-4-17(5-3-16)24(34)35/h6-12,14,16-17H,2-5,13H2,1H3,(H,30,31)(H,34,35)(H,29,32,33) |
|---|
| InChIKey | UFWGFMAXFJBACB-UHFFFAOYSA-N |
|---|
| XLogP | 5.91 |
|---|
| TPSA | 100.03 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 485.51 |
| LogP ≤ 5 | 5.91 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 119098917) is 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NCC3CCC(C(=O)O)CC3)nc2)c1.
What is the InChIKey of 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is UFWGFMAXFJBACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-15-10-20(32-23(11-15)33-22-12-19(8-9-29-22)25(26,27)28)18-6-7-21(31-14-18)30-13-16-2-4-17(5-3-16)24(34)35/h6-12,14,16-17H,2-5,13H2,1H3,(H,30,31)(H,34,35)(H,29,32,33).
What are the key properties of 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 485.51 g/mol, XLogP of 5.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119098917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).