About 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (PubChem CID 146662173) has the molecular formula C27H24ClFN8
and a molecular weight of 515.00 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.
Molecular Properties
| Compound Name | 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine |
|---|
| PubChem CID | 146662173 |
|---|
| Molecular Formula | C27H24ClFN8 |
|---|
| Molecular Weight | 515.00 g/mol |
|---|
| Exact Mass | 514.18 |
|---|
| IUPAC Name | 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine |
|---|
| SMILES | CN1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1 |
|---|
| InChI | InChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-26(31-15-19)33-18-13-25-24(30-14-18)6-5-23(34-25)21-16-32-35-27(21)20-12-17(28)2-4-22(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,33)(H,32,35) |
|---|
| InChIKey | TYPOVOCBEVATLW-UHFFFAOYSA-N |
|---|
| XLogP | 5.37 |
|---|
| TPSA | 85.86 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 515.00 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-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 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (CID 146662173) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is CN1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The InChIKey is TYPOVOCBEVATLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-26(31-15-19)33-18-13-25-24(30-14-18)6-5-23(34-25)21-16-32-35-27(21)20-12-17(28)2-4-22(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,33)(H,32,35).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine has a molecular weight of 515.00 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146662173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).