6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol

C20H26N4O2 — CID 136918359

IUPAC6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol
SMILESCC(C)(C)c1nc2cnc(-c3ccc(OCCCCN)cc3)cn2c1O
InChIInChI=1S/C20H26N4O2/c1-20(2,3)18-19(25)24-13-16(22-12-17(24)23-18)14-6-8-15(9-7-14)26-11-5-4-10-21/h6-9,12-13,25H,4-5,10-11,21H2,1-3H3
InChIKeyPEFUHFONFFRMGV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.52
Rot. Bonds6

About 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol

6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 136918359) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol
PubChem CID136918359
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol
SMILESCC(C)(C)c1nc2cnc(-c3ccc(OCCCCN)cc3)cn2c1O
InChIInChI=1S/C20H26N4O2/c1-20(2,3)18-19(25)24-13-16(22-12-17(24)23-18)14-6-8-15(9-7-14)26-11-5-4-10-21/h6-9,12-13,25H,4-5,10-11,21H2,1-3H3
InChIKeyPEFUHFONFFRMGV-UHFFFAOYSA-N
XLogP3.52
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid
CID 139620580
6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 136664249
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555560
4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694797
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
3-[4-(4-aminobutoxy)phenyl]-1H-pyridazin-6-one;hydrobromide
CID 18977149
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
N'-[6-(4-propoxyphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 82191585
6-(4-pentoxyphenyl)pyridine-3-carboxylic acid
CID 12576503
4-[4-(4-aminobutoxy)phenyl]benzonitrile
CID 19035301
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol (CID 136918359) is 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol is CC(C)(C)c1nc2cnc(-c3ccc(OCCCCN)cc3)cn2c1O.
What is the InChIKey of 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is PEFUHFONFFRMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-20(2,3)18-19(25)24-13-16(22-12-17(24)23-18)14-6-8-15(9-7-14)26-11-5-4-10-21/h6-9,12-13,25H,4-5,10-11,21H2,1-3H3.
What are the key properties of 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol?
6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 354.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 136918359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).