(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone

C16H9Br2F2N3O2 — CID 178012600

IUPAC(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cc(Br)c(O)c(Br)c1)c1c(C2(F)CC2)nc2ncc(F)cn12
InChIInChI=1S/C16H9Br2F2N3O2/c17-9-3-7(4-10(18)13(9)25)12(24)11-14(16(20)1-2-16)22-15-21-5-8(19)6-23(11)15/h3-6,25H,1-2H2
InChIKeyGLHYXEMNARESTC-UHFFFAOYSA-N
MW473.07 g/mol
LogP4.29
Rot. Bonds3

About (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone

(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone (PubChem CID 178012600) has the molecular formula C16H9Br2F2N3O2 and a molecular weight of 473.07 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
PubChem CID178012600
Molecular FormulaC16H9Br2F2N3O2
Molecular Weight473.07 g/mol
Exact Mass470.90
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cc(Br)c(O)c(Br)c1)c1c(C2(F)CC2)nc2ncc(F)cn12
InChIInChI=1S/C16H9Br2F2N3O2/c17-9-3-7(4-10(18)13(9)25)12(24)11-14(16(20)1-2-16)22-15-21-5-8(19)6-23(11)15/h3-6,25H,1-2H2
InChIKeyGLHYXEMNARESTC-UHFFFAOYSA-N
XLogP4.29
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.07
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone (CID 178012600) is (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone is O=C(c1cc(Br)c(O)c(Br)c1)c1c(C2(F)CC2)nc2ncc(F)cn12.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
The InChIKey is GLHYXEMNARESTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2F2N3O2/c17-9-3-7(4-10(18)13(9)25)12(24)11-14(16(20)1-2-16)22-15-21-5-8(19)6-23(11)15/h3-6,25H,1-2H2.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone?
(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone has a molecular weight of 473.07 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 178012600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).