8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol

C22H15ClN4O2 — CID 137285354

IUPAC8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(-c3ccnc(Cl)c3)nc(-c3ccccc3)cn12
InChIInChI=1S/C22H15ClN4O2/c23-19-11-15(8-9-24-19)20-21-26-17(12-16-7-4-10-29-16)22(28)27(21)13-18(25-20)14-5-2-1-3-6-14/h1-11,13,28H,12H2
InChIKeyJHKNLDRWQCLXTA-UHFFFAOYSA-N
MW402.84 g/mol
LogP5.00
Rot. Bonds4

About 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol

8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137285354) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
PubChem CID137285354
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC Name8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(-c3ccnc(Cl)c3)nc(-c3ccccc3)cn12
InChIInChI=1S/C22H15ClN4O2/c23-19-11-15(8-9-24-19)20-21-26-17(12-16-7-4-10-29-16)22(28)27(21)13-18(25-20)14-5-2-1-3-6-14/h1-11,13,28H,12H2
InChIKeyJHKNLDRWQCLXTA-UHFFFAOYSA-N
XLogP5.00
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
2-(furan-2-ylmethyl)-8-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285384
8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803924
8-(6-chloropyridazin-4-yl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803912
6,8-bis(furan-2-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 137285396
6-(3-amino-2-fluorophenyl)-8-(6-chloropyridazin-4-yl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803916
8-(6-chloropyridazin-4-yl)-6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 176803914
2-benzyl-6-phenyl-8-quinolin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 164517221
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
tert-butyl 3-[8-benzyl-2-(furan-2-ylmethyl)-3-hydroxyimidazo[1,2-a]pyrazin-6-yl]benzoate
CID 137316658

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137285354) is 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol is Oc1c(Cc2ccco2)nc2c(-c3ccnc(Cl)c3)nc(-c3ccccc3)cn12.
What is the InChIKey of 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is JHKNLDRWQCLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c23-19-11-15(8-9-24-19)20-21-26-17(12-16-7-4-10-29-16)22(28)27(21)13-18(25-20)14-5-2-1-3-6-14/h1-11,13,28H,12H2.
What are the key properties of 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 402.84 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137285354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).