2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide

C20H17BrFN7O — CID 140869451

IUPAC2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide
SMILESCCc1nc2cnc(Br)cn2c1N(C)c1nccc(-c2ccc(F)cc2C(N)=O)n1
InChIInChI=1S/C20H17BrFN7O/c1-3-14-19(29-10-16(21)25-9-17(29)26-14)28(2)20-24-7-6-15(27-20)12-5-4-11(22)8-13(12)18(23)30/h4-10H,3H2,1-2H3,(H2,23,30)
InChIKeyQVHZXKLPLHVMEA-UHFFFAOYSA-N
MW470.31 g/mol
LogP3.52
Rot. Bonds5

About 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide

2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide (PubChem CID 140869451) has the molecular formula C20H17BrFN7O and a molecular weight of 470.31 g/mol. Its IUPAC name is 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide
PubChem CID140869451
Molecular FormulaC20H17BrFN7O
Molecular Weight470.31 g/mol
Exact Mass469.07
IUPAC Name2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide
SMILESCCc1nc2cnc(Br)cn2c1N(C)c1nccc(-c2ccc(F)cc2C(N)=O)n1
InChIInChI=1S/C20H17BrFN7O/c1-3-14-19(29-10-16(21)25-9-17(29)26-14)28(2)20-24-7-6-15(27-20)12-5-4-11(22)8-13(12)18(23)30/h4-10H,3H2,1-2H3,(H2,23,30)
InChIKeyQVHZXKLPLHVMEA-UHFFFAOYSA-N
XLogP3.52
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide?
The IUPAC name of 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide (CID 140869451) is 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide.
What is the SMILES notation for 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide?
The canonical SMILES for 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide is CCc1nc2cnc(Br)cn2c1N(C)c1nccc(-c2ccc(F)cc2C(N)=O)n1.
What is the InChIKey of 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide?
The InChIKey is QVHZXKLPLHVMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN7O/c1-3-14-19(29-10-16(21)25-9-17(29)26-14)28(2)20-24-7-6-15(27-20)12-5-4-11(22)8-13(12)18(23)30/h4-10H,3H2,1-2H3,(H2,23,30).
What are the key properties of 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide?
2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide has a molecular weight of 470.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-bromo-2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]pyrimidin-4-yl]-5-fluorobenzamide is sourced from PubChem (CID 140869451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).