About N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide
N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide (PubChem CID 135314117) has the molecular formula C27H28FN5O3
and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide.
Molecular Properties
| Compound Name | N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide |
|---|
| PubChem CID | 135314117 |
|---|
| Molecular Formula | C27H28FN5O3 |
|---|
| Molecular Weight | 489.55 g/mol |
|---|
| Exact Mass | 489.22 |
|---|
| IUPAC Name | N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide |
|---|
| SMILES | CCC(=O)Nc1ccc(OC)c(Nc2cc(-c3nc(CCCO)[nH]c3-c3ccc(F)cc3)ccn2)c1 |
|---|
| InChI | InChI=1S/C27H28FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33) |
|---|
| InChIKey | QQVFPBLJZZDHSS-UHFFFAOYSA-N |
|---|
| XLogP | 5.30 |
|---|
| TPSA | 112.16 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 489.55 |
| LogP ≤ 5 | 5.30 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide 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 N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide?
The IUPAC name of N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide (CID 135314117) is N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide.
What is the SMILES notation for N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide?
The canonical SMILES for N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide is CCC(=O)Nc1ccc(OC)c(Nc2cc(-c3nc(CCCO)[nH]c3-c3ccc(F)cc3)ccn2)c1.
What is the InChIKey of N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide?
The InChIKey is QQVFPBLJZZDHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33).
What are the key properties of N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide?
N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide has a molecular weight of 489.55 g/mol, XLogP of 5.30, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]-2-pyridinyl]amino]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 135314117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).