sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate

C17H9F3N5NaO — CID 166087121

IUPACsodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate
SMILES[Na+].[O-]c1nc(-c2cn3ccnc3c(Cc3cc(F)ccc3F)n2)ncc1F
InChIInChI=1S/C17H10F3N5O.Na/c18-10-1-2-11(19)9(5-10)6-13-16-21-3-4-25(16)8-14(23-13)15-22-7-12(20)17(26)24-15;/h1-5,7-8H,6H2,(H,22,24,26);/q;+1/p-1
InChIKeyBDRYPYHBJAHKTA-UHFFFAOYSA-M
MW379.28 g/mol
LogP-0.73
Rot. Bonds3

About sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate

sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate (PubChem CID 166087121) has the molecular formula C17H9F3N5NaO and a molecular weight of 379.28 g/mol. Its IUPAC name is sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate.

Molecular Properties

Compound Namesodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate
PubChem CID166087121
Molecular FormulaC17H9F3N5NaO
Molecular Weight379.28 g/mol
Exact Mass379.07
IUPAC Namesodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate
SMILES[Na+].[O-]c1nc(-c2cn3ccnc3c(Cc3cc(F)ccc3F)n2)ncc1F
InChIInChI=1S/C17H10F3N5O.Na/c18-10-1-2-11(19)9(5-10)6-13-16-21-3-4-25(16)8-14(23-13)15-22-7-12(20)17(26)24-15;/h1-5,7-8H,6H2,(H,22,24,26);/q;+1/p-1
InChIKeyBDRYPYHBJAHKTA-UHFFFAOYSA-M
XLogP-0.73
TPSA79.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate?
The IUPAC name of sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate (CID 166087121) is sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate.
What is the SMILES notation for sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate?
The canonical SMILES for sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate is [Na+].[O-]c1nc(-c2cn3ccnc3c(Cc3cc(F)ccc3F)n2)ncc1F.
What is the InChIKey of sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate?
The InChIKey is BDRYPYHBJAHKTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H10F3N5O.Na/c18-10-1-2-11(19)9(5-10)6-13-16-21-3-4-25(16)8-14(23-13)15-22-7-12(20)17(26)24-15;/h1-5,7-8H,6H2,(H,22,24,26);/q;+1/p-1.
What are the key properties of sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate?
sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate has a molecular weight of 379.28 g/mol, XLogP of -0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate is sourced from PubChem (CID 166087121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).