About 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one (PubChem CID 118275160) has the molecular formula C23H18ClFN6O2
and a molecular weight of 464.89 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one.
Molecular Properties
| Compound Name | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one |
|---|
| PubChem CID | 118275160 |
|---|
| Molecular Formula | C23H18ClFN6O2 |
|---|
| Molecular Weight | 464.89 g/mol |
|---|
| Exact Mass | 464.12 |
|---|
| IUPAC Name | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one |
|---|
| SMILES | Cc1[nH]ncc1-c1cnc2[nH]cc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)c2n1 |
|---|
| InChI | InChI=1S/C23H18ClFN6O2/c1-12-15(9-28-30-12)19-10-27-23-22(29-19)16(8-26-23)13-4-5-31(21(33)7-13)20(11-32)14-2-3-17(24)18(25)6-14/h2-10,20,32H,11H2,1H3,(H,26,27)(H,28,30)/t20-/m1/s1 |
|---|
| InChIKey | AVYDAQXDWKTXDU-HXUWFJFHSA-N |
|---|
| XLogP | 3.86 |
|---|
| TPSA | 112.48 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 464.89 |
| LogP ≤ 5 | 3.86 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-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 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one (CID 118275160) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one is Cc1[nH]ncc1-c1cnc2[nH]cc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)c2n1.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
The InChIKey is AVYDAQXDWKTXDU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18ClFN6O2/c1-12-15(9-28-30-12)19-10-27-23-22(29-19)16(8-26-23)13-4-5-31(21(33)7-13)20(11-32)14-2-3-17(24)18(25)6-14/h2-10,20,32H,11H2,1H3,(H,26,27)(H,28,30)/t20-/m1/s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one?
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one has a molecular weight of 464.89 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one is sourced from PubChem (CID 118275160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).