6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C21H13F2N5O2 — CID 137299700

IUPAC6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(-c3ccnc(F)c3)nc(-c3ccnc(F)c3)cn12
InChIInChI=1S/C21H13F2N5O2/c22-17-8-12(3-5-24-17)16-11-28-20(19(26-16)13-4-6-25-18(23)9-13)27-15(21(28)29)10-14-2-1-7-30-14/h1-9,11,29H,10H2
InChIKeyVXCHKSDLGGLCFO-UHFFFAOYSA-N
MW405.36 g/mol
LogP4.02
Rot. Bonds4

About 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 137299700) has the molecular formula C21H13F2N5O2 and a molecular weight of 405.36 g/mol. Its IUPAC name is 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID137299700
Molecular FormulaC21H13F2N5O2
Molecular Weight405.36 g/mol
Exact Mass405.10
IUPAC Name6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(-c3ccnc(F)c3)nc(-c3ccnc(F)c3)cn12
InChIInChI=1S/C21H13F2N5O2/c22-17-8-12(3-5-24-17)16-11-28-20(19(26-16)13-4-6-25-18(23)9-13)27-15(21(28)29)10-14-2-1-7-30-14/h1-9,11,29H,10H2
InChIKeyVXCHKSDLGGLCFO-UHFFFAOYSA-N
XLogP4.02
TPSA89.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol with MolForge

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Related Compounds

2-Fluoro-5-[7-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 118733892
7-(Furan-2-yl)-3-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 118733894
3-(4-Fluorophenyl)-7-(furan-2-yl)imidazo[1,2-a]pyridine
CID 118733895
4-[2,6-Difluoro-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 146025703
4-(2,6-Difluoro-4-imidazo[1,2-a]pyridin-5-ylphenoxy)furo[3,2-c]pyridine
CID 146025724
8-benzyl-2-[(furan-2-yl)methyl]-6-phenyl-3H,7H-imidazo[1,2-a]pyrazin-3-one
CID 136008305
6-(3-amino-2-fluorophenyl)-8-((2-fluorophenyl)methyl)-2-((furan-2-yl)methyl)-3H,7H-imidazo(1,2-a)pyrazin-3-one
CID 146403983
1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 4287486
5-(Furan-3-yl)imidazo[1,2-a]pyridine
CID 49790932
9-ethyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-pyridin-3-ylpurin-6-amine
CID 168994704
Cdk-IN-13
CID 169494193
2-[[9-Ethyl-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]purin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 176264327

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 137299700) is 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1c(Cc2ccco2)nc2c(-c3ccnc(F)c3)nc(-c3ccnc(F)c3)cn12.
What is the InChIKey of 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is VXCHKSDLGGLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5O2/c22-17-8-12(3-5-24-17)16-11-28-20(19(26-16)13-4-6-25-18(23)9-13)27-15(21(28)29)10-14-2-1-7-30-14/h1-9,11,29H,10H2.
What are the key properties of 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 405.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137299700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).