4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol

C19H15IN4O2 — CID 136598334

IUPAC4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2ccc(I)cc2)ccc1O
InChIInChI=1S/C19H15IN4O2/c1-26-16-10-12(2-7-15(16)25)18-19(22-14-5-3-13(20)4-6-14)24-9-8-21-11-17(24)23-18/h2-11,22,25H,1H3
InChIKeyAAVGWCRPODVYRZ-UHFFFAOYSA-N
MW458.26 g/mol
LogP4.46
Rot. Bonds4

About 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol

4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol (PubChem CID 136598334) has the molecular formula C19H15IN4O2 and a molecular weight of 458.26 g/mol. Its IUPAC name is 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
PubChem CID136598334
Molecular FormulaC19H15IN4O2
Molecular Weight458.26 g/mol
Exact Mass458.02
IUPAC Name4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2ccc(I)cc2)ccc1O
InChIInChI=1S/C19H15IN4O2/c1-26-16-10-12(2-7-15(16)25)18-19(22-14-5-3-13(20)4-6-14)24-9-8-21-11-17(24)23-18/h2-11,22,25H,1H3
InChIKeyAAVGWCRPODVYRZ-UHFFFAOYSA-N
XLogP4.46
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.26
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
CID 135649800
2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135649774
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674311
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
3-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol;N-(3-chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 160833411
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 175772540

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol (CID 136598334) is 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3cnccn3c2Nc2ccc(I)cc2)ccc1O.
What is the InChIKey of 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The InChIKey is AAVGWCRPODVYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4O2/c1-26-16-10-12(2-7-15(16)25)18-19(22-14-5-3-13(20)4-6-14)24-9-8-21-11-17(24)23-18/h2-11,22,25H,1H3.
What are the key properties of 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol has a molecular weight of 458.26 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 136598334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).