About N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 71553264) has the molecular formula C31H22F4N6O
and a molecular weight of 570.55 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.
Molecular Properties
| Compound Name | N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine |
|---|
| PubChem CID | 71553264 |
|---|
| Molecular Formula | C31H22F4N6O |
|---|
| Molecular Weight | 570.55 g/mol |
|---|
| Exact Mass | 570.18 |
|---|
| IUPAC Name | N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine |
|---|
| SMILES | COc1cnc(-c2nn(Cc3c(F)cccc3F)c3ccccc23)nc1N(Cc1c(F)cccc1F)c1ccncc1 |
|---|
| InChI | InChI=1S/C31H22F4N6O/c1-42-28-16-37-30(29-20-6-2-3-11-27(20)41(39-29)18-22-25(34)9-5-10-26(22)35)38-31(28)40(19-12-14-36-15-13-19)17-21-23(32)7-4-8-24(21)33/h2-16H,17-18H2,1H3 |
|---|
| InChIKey | ZMDGNRHPSATBAF-UHFFFAOYSA-N |
|---|
| XLogP | 6.84 |
|---|
| TPSA | 68.96 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 570.55 |
| LogP ≤ 5 | 6.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine 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-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (CID 71553264) is N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is COc1cnc(-c2nn(Cc3c(F)cccc3F)c3ccccc23)nc1N(Cc1c(F)cccc1F)c1ccncc1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is ZMDGNRHPSATBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F4N6O/c1-42-28-16-37-30(29-20-6-2-3-11-27(20)41(39-29)18-22-25(34)9-5-10-26(22)35)38-31(28)40(19-12-14-36-15-13-19)17-21-23(32)7-4-8-24(21)33/h2-16H,17-18H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 570.55 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71553264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).