About [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
[2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (PubChem CID 118138318) has the molecular formula C29H24F2N6O5
and a molecular weight of 574.54 g/mol. Its IUPAC name is [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
Molecular Properties
| Compound Name | [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone |
|---|
| PubChem CID | 118138318 |
|---|
| Molecular Formula | C29H24F2N6O5 |
|---|
| Molecular Weight | 574.54 g/mol |
|---|
| Exact Mass | 574.18 |
|---|
| IUPAC Name | [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone |
|---|
| SMILES | COc1nc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N |
|---|
| InChI | InChI=1S/C29H24F2N6O5/c1-40-28-22(7-8-24(35-28)42-23-4-2-3-19(30)25(23)31)37-27(32)18(15-33-37)26(38)21-14-17-13-16(5-6-20(17)34-21)29(39)36-9-11-41-12-10-36/h2-8,13-15,34H,9-12,32H2,1H3 |
|---|
| InChIKey | VXSCQLSRUAXZGX-UHFFFAOYSA-N |
|---|
| XLogP | 4.11 |
|---|
| TPSA | 137.59 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 574.54 |
| LogP ≤ 5 | 4.11 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone 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 [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone (CID 118138318) is [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is COc1nc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(C(=O)N4CCOCC4)ccc3[nH]2)c1N.
What is the InChIKey of [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is VXSCQLSRUAXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N6O5/c1-40-28-22(7-8-24(35-28)42-23-4-2-3-19(30)25(23)31)37-27(32)18(15-33-37)26(38)21-14-17-13-16(5-6-20(17)34-21)29(39)36-9-11-41-12-10-36/h2-8,13-15,34H,9-12,32H2,1H3.
What are the key properties of [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone?
[2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 574.54 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-1-[6-(2,3-difluorophenoxy)-2-methoxy-3-pyridinyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118138318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).