4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol

C20H15N5O — CID 137154130

IUPAC4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3c(Nc4ccc5[nH]ccc5c4)nccn23)cc1
InChIInChI=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)
InChIKeyAJOMOUDSTBCCDP-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.33
Rot. Bonds3

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 Name4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137154130
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name4-[8-(1H-indol-5-ylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3c(Nc4ccc5[nH]ccc5c4)nccn23)cc1
InChIInChI=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)
InChIKeyAJOMOUDSTBCCDP-UHFFFAOYSA-N
XLogP4.33
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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).