About 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137154130) has the molecular formula C20H15N5O
and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.
Molecular Properties
| Compound Name | 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol |
| PubChem CID | 137154130 |
| Molecular Formula | C20H15N5O |
| Molecular Weight | 341.37 g/mol |
| Exact Mass | 341.13 |
| IUPAC Name | 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol |
| SMILES | Oc1ccc(-c2cnc3c(Nc4ccc5[nH]ccc5c4)nccn23)cc1 |
| InChI | InChI=1S/C20H15N5O/c26-16-4-1-13(2-5-16)18-12-23-20-19(22-9-10-25(18)20)24-15-3-6-17-14(11-15)7-8-21-17/h1-12,21,26H,(H,22,24) |
| InChIKey | AJOMOUDSTBCCDP-UHFFFAOYSA-N |
| XLogP | 4.33 |
| TPSA | 78.24 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 341.37 |
| LogP ≤ 5 | 4.33 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137154130) is 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2cnc3c(Nc4ccc5[nH]ccc5c4)nccn23)cc1.
What is the InChIKey of 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is AJOMOUDSTBCCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c26-16-4-1-13(2-5-16)18-12-23-20-19(22-9-10-25(18)20)24-15-3-6-17-14(11-15)7-8-21-17/h1-12,21,26H,(H,22,24).
What are the key properties of 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 341.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137154130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).