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

C17H12Br2FN3O2 — CID 178012570

IUPAC(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone
SMILESC[C@@H]1C[C@H]1c1nc2ncc(F)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C17H12Br2FN3O2/c1-7-2-10(7)13-14(23-6-9(20)5-21-17(23)22-13)15(24)8-3-11(18)16(25)12(19)4-8/h3-7,10,25H,2H2,1H3/t7-,10-/m1/s1
InChIKeyRBOILFSOFFJVJC-GMSGAONNSA-N
MW469.11 g/mol
LogP4.45
Rot. Bonds3

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

(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone (PubChem CID 178012570) has the molecular formula C17H12Br2FN3O2 and a molecular weight of 469.11 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone
PubChem CID178012570
Molecular FormulaC17H12Br2FN3O2
Molecular Weight469.11 g/mol
Exact Mass466.93
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone
SMILESC[C@@H]1C[C@H]1c1nc2ncc(F)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C17H12Br2FN3O2/c1-7-2-10(7)13-14(23-6-9(20)5-21-17(23)22-13)15(24)8-3-11(18)16(25)12(19)4-8/h3-7,10,25H,2H2,1H3/t7-,10-/m1/s1
InChIKeyRBOILFSOFFJVJC-GMSGAONNSA-N
XLogP4.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.11
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
CID 178012600
3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342441
[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone
CID 178012639
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342684
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
CID 139342534
[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-[3-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]methanone
CID 142623557
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 134535281
(3,5-dibromo-4-hydroxyphenyl)-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
CID 134535469
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
2-bromo-6-ethoxy-4-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 167765390
(2R)-2-(3-bromo-5-fluoro-2-pyridinyl)propanamide
CID 163238012
(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
CID 114641496

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone (CID 178012570) is (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone is C[C@@H]1C[C@H]1c1nc2ncc(F)cn2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone?
The InChIKey is RBOILFSOFFJVJC-GMSGAONNSA-N. The full InChI is InChI=1S/C17H12Br2FN3O2/c1-7-2-10(7)13-14(23-6-9(20)5-21-17(23)22-13)15(24)8-3-11(18)16(25)12(19)4-8/h3-7,10,25H,2H2,1H3/t7-,10-/m1/s1.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone?
(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone has a molecular weight of 469.11 g/mol, XLogP of 4.45, 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-[(1R,2R)-2-methylcyclopropyl]imidazo[1,2-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 178012570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).