About N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 136935819) has the molecular formula C30H22FN7S
and a molecular weight of 531.62 g/mol. Its IUPAC name is N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.
Molecular Properties
| Compound Name | N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine |
|---|
| PubChem CID | 136935819 |
|---|
| Molecular Formula | C30H22FN7S |
|---|
| Molecular Weight | 531.62 g/mol |
|---|
| Exact Mass | 531.16 |
|---|
| IUPAC Name | N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine |
|---|
| SMILES | Fc1cc(-c2cncc(CNCc3ccccc3)c2)cc2c(-c3nc4c(-c5cccs5)nccc4[nH]3)[nH]nc12 |
|---|
| InChI | InChI=1S/C30H22FN7S/c31-23-13-20(21-11-19(16-33-17-21)15-32-14-18-5-2-1-3-6-18)12-22-26(23)37-38-27(22)30-35-24-8-9-34-29(28(24)36-30)25-7-4-10-39-25/h1-13,16-17,32H,14-15H2,(H,35,36)(H,37,38) |
|---|
| InChIKey | IJXWVGIFVPPYJD-UHFFFAOYSA-N |
|---|
| XLogP | 6.72 |
|---|
| TPSA | 95.17 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 531.62 |
| LogP ≤ 5 | 6.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine 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-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 136935819) is N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is Fc1cc(-c2cncc(CNCc3ccccc3)c2)cc2c(-c3nc4c(-c5cccs5)nccc4[nH]3)[nH]nc12.
What is the InChIKey of N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The InChIKey is IJXWVGIFVPPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN7S/c31-23-13-20(21-11-19(16-33-17-21)15-32-14-18-5-2-1-3-6-18)12-22-26(23)37-38-27(22)30-35-24-8-9-34-29(28(24)36-30)25-7-4-10-39-25/h1-13,16-17,32H,14-15H2,(H,35,36)(H,37,38).
What are the key properties of N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 531.62 g/mol, XLogP of 6.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 136935819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).