6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C21H14ClFN6O2 — CID 176803916

IUPAC6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(-c3cnnc(Cl)c3)n2)c1F
InChIInChI=1S/C21H14ClFN6O2/c22-17-7-11(9-25-28-17)19-20-27-15(8-12-3-2-6-31-12)21(30)29(20)10-16(26-19)13-4-1-5-14(24)18(13)23/h1-7,9-10,30H,8,24H2
InChIKeyCLERHDRAVJTNDX-UHFFFAOYSA-N
MW436.83 g/mol
LogP4.12
Rot. Bonds4

About 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 176803916) has the molecular formula C21H14ClFN6O2 and a molecular weight of 436.83 g/mol. Its IUPAC name is 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID176803916
Molecular FormulaC21H14ClFN6O2
Molecular Weight436.83 g/mol
Exact Mass436.09
IUPAC Name6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(-c3cnnc(Cl)c3)n2)c1F
InChIInChI=1S/C21H14ClFN6O2/c22-17-7-11(9-25-28-17)19-20-27-15(8-12-3-2-6-31-12)21(30)29(20)10-16(26-19)13-4-1-5-14(24)18(13)23/h1-7,9-10,30H,8,24H2
InChIKeyCLERHDRAVJTNDX-UHFFFAOYSA-N
XLogP4.12
TPSA115.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.83
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803914
8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803912
8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803924
6-(3-amino-2-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 146404025
8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285354
6,8-bis(furan-2-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 137285396
2-(furan-2-ylmethyl)-6-phenyl-8-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 137285364
2-(furan-2-ylmethyl)-6-phenyl-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol
CID 137285355
6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)
CID 157190803
2-(furan-2-ylmethyl)-8-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285384
8-benzyl-6-(4-chloro-3-methylphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 161257499
8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
CID 146404031

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 176803916) is 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Nc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(-c3cnnc(Cl)c3)n2)c1F.
What is the InChIKey of 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is CLERHDRAVJTNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN6O2/c22-17-7-11(9-25-28-17)19-20-27-15(8-12-3-2-6-31-12)21(30)29(20)10-16(26-19)13-4-1-5-14(24)18(13)23/h1-7,9-10,30H,8,24H2.
What are the key properties of 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 436.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 176803916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).