2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C36H26F4N6 — CID 161439862

IUPAC2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2nc3cnccn3c2-c2ccc(F)cc2)cc1.Fc1ccc(-c2nc3n(c2-c2ccc(F)cc2)CCNC3)cc1
InChIInChI=1S/C18H15F2N3.C18H11F2N3/c2*19-14-5-1-12(2-6-14)17-18(13-3-7-15(20)8-4-13)23-10-9-21-11-16(23)22-17/h1-8,21H,9-11H2;1-11H
InChIKeyVZCYRCZMKPJTBH-UHFFFAOYSA-N
MW618.64 g/mol
LogP7.94
Rot. Bonds4

About 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 161439862) has the molecular formula C36H26F4N6 and a molecular weight of 618.64 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID161439862
Molecular FormulaC36H26F4N6
Molecular Weight618.64 g/mol
Exact Mass618.22
IUPAC Name2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2nc3cnccn3c2-c2ccc(F)cc2)cc1.Fc1ccc(-c2nc3n(c2-c2ccc(F)cc2)CCNC3)cc1
InChIInChI=1S/C18H15F2N3.C18H11F2N3/c2*19-14-5-1-12(2-6-14)17-18(13-3-7-15(20)8-4-13)23-10-9-21-11-16(23)22-17/h1-8,21H,9-11H2;1-11H
InChIKeyVZCYRCZMKPJTBH-UHFFFAOYSA-N
XLogP7.94
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.64
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 161439862) is 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is Fc1ccc(-c2nc3cnccn3c2-c2ccc(F)cc2)cc1.Fc1ccc(-c2nc3n(c2-c2ccc(F)cc2)CCNC3)cc1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is VZCYRCZMKPJTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3.C18H11F2N3/c2*19-14-5-1-12(2-6-14)17-18(13-3-7-15(20)8-4-13)23-10-9-21-11-16(23)22-17/h1-8,21H,9-11H2;1-11H.
What are the key properties of 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 618.64 g/mol, XLogP of 7.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)imidazo[1,2-a]pyrazine;2,3-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 161439862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).