About 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (PubChem CID 58474579) has the molecular formula C28H29FN4O3S
and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.
Molecular Properties
| Compound Name | 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one |
|---|
| PubChem CID | 58474579 |
|---|
| Molecular Formula | C28H29FN4O3S |
|---|
| Molecular Weight | 520.63 g/mol |
|---|
| Exact Mass | 520.19 |
|---|
| IUPAC Name | 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one |
|---|
| SMILES | O=C(Cc1ccc(Oc2ccnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)c(F)c1)CC1CC1 |
|---|
| InChI | InChI=1S/C28H29FN4O3S/c29-23-15-20(14-22(34)13-19-1-2-19)3-4-25(23)36-26-5-6-30-24-16-27(37-28(24)26)21-17-31-33(18-21)8-7-32-9-11-35-12-10-32/h3-6,15-19H,1-2,7-14H2 |
|---|
| InChIKey | YUXGQRWTKRQDRY-UHFFFAOYSA-N |
|---|
| XLogP | 5.34 |
|---|
| TPSA | 69.48 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 520.63 |
| LogP ≤ 5 | 5.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-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-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (CID 58474579) is 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is O=C(Cc1ccc(Oc2ccnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)c(F)c1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The InChIKey is YUXGQRWTKRQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3S/c29-23-15-20(14-22(34)13-19-1-2-19)3-4-25(23)36-26-5-6-30-24-16-27(37-28(24)26)21-17-31-33(18-21)8-7-32-9-11-35-12-10-32/h3-6,15-19H,1-2,7-14H2.
What are the key properties of 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one has a molecular weight of 520.63 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 58474579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).