About N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide
N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide (PubChem CID 118466449) has the molecular formula C27H24ClF3N4O2
and a molecular weight of 528.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide |
|---|
| PubChem CID | 118466449 |
|---|
| Molecular Formula | C27H24ClF3N4O2 |
|---|
| Molecular Weight | 528.96 g/mol |
|---|
| Exact Mass | 528.15 |
|---|
| IUPAC Name | N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide |
|---|
| SMILES | Cn1c(-c2ccc(Cl)cc2)cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21 |
|---|
| InChI | InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36) |
|---|
| InChIKey | XENWRGQJIZMYIF-UHFFFAOYSA-N |
|---|
| XLogP | 6.45 |
|---|
| TPSA | 76.02 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 528.96 |
| LogP ≤ 5 | 6.45 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide 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 N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide (CID 118466449) is N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide is Cn1c(-c2ccc(Cl)cc2)cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
The InChIKey is XENWRGQJIZMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36).
What are the key properties of N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide has a molecular weight of 528.96 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-methylindol-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118466449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).