About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one (PubChem CID 130422962) has the molecular formula C29H25ClFN5O4S
and a molecular weight of 594.07 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one.
Molecular Properties
| Compound Name | 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one |
|---|
| PubChem CID | 130422962 |
|---|
| Molecular Formula | C29H25ClFN5O4S |
|---|
| Molecular Weight | 594.07 g/mol |
|---|
| Exact Mass | 593.13 |
|---|
| IUPAC Name | 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one |
|---|
| SMILES | O=C(c1ccccc1F)n1nc(-c2cn(Cc3ccco3)c(=O)cc2N2CCOCC2)cc1NCc1ccc(Cl)s1 |
|---|
| InChI | InChI=1S/C29H25ClFN5O4S/c30-26-8-7-20(41-26)16-32-27-14-24(33-36(27)29(38)21-5-1-2-6-23(21)31)22-18-35(17-19-4-3-11-40-19)28(37)15-25(22)34-9-12-39-13-10-34/h1-8,11,14-15,18,32H,9-10,12-13,16-17H2 |
|---|
| InChIKey | LIINVUJYBJAQPN-UHFFFAOYSA-N |
|---|
| XLogP | 5.34 |
|---|
| TPSA | 94.53 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 41 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 594.07 |
| LogP ≤ 5 | 5.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one 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 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one?
The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one (CID 130422962) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one.
What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one?
The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one is O=C(c1ccccc1F)n1nc(-c2cn(Cc3ccco3)c(=O)cc2N2CCOCC2)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one?
The InChIKey is LIINVUJYBJAQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClFN5O4S/c30-26-8-7-20(41-26)16-32-27-14-24(33-36(27)29(38)21-5-1-2-6-23(21)31)22-18-35(17-19-4-3-11-40-19)28(37)15-25(22)34-9-12-39-13-10-34/h1-8,11,14-15,18,32H,9-10,12-13,16-17H2.
What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one?
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one has a molecular weight of 594.07 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)-4-morpholin-4-ylpyridin-2-one is sourced from PubChem (CID 130422962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).