[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone

C16H10F3N3O2 — CID 178012639

IUPAC[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1c([C@@H]2CC2(F)F)nc2ncc(F)cn12
InChIInChI=1S/C16H10F3N3O2/c17-9-6-20-15-21-12(11-5-16(11,18)19)13(22(15)7-9)14(24)8-1-3-10(23)4-2-8/h1-4,6-7,11,23H,5H2/t11-/m0/s1
InChIKeyJFENXFXRJLWNKN-NSHDSACASA-N
MW333.27 g/mol
LogP2.93
Rot. Bonds3

About [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone

[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone (PubChem CID 178012639) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone
PubChem CID178012639
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1c([C@@H]2CC2(F)F)nc2ncc(F)cn12
InChIInChI=1S/C16H10F3N3O2/c17-9-6-20-15-21-12(11-5-16(11,18)19)13(22(15)7-9)14(24)8-1-3-10(23)4-2-8/h1-4,6-7,11,23H,5H2/t11-/m0/s1
InChIKeyJFENXFXRJLWNKN-NSHDSACASA-N
XLogP2.93
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342684
(3,5-dibromo-4-hydroxyphenyl)-[6-fluoro-2-(1-fluorocyclopropyl)imidazo[1,2-a]pyrimidin-3-yl]methanone
CID 178012600
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
CID 139342534
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342703
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone
CID 178012653
bis(4-hydroxyphenyl)methanone;isocyanic acid
CID 175572279
adamantane;(4-fluorophenyl)-phenylmethanone
CID 174728613
6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 167346079
ethane;(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
CID 155711023
methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane
CID 67894619

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone (CID 178012639) is [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1c([C@@H]2CC2(F)F)nc2ncc(F)cn12.
What is the InChIKey of [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is JFENXFXRJLWNKN-NSHDSACASA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-9-6-20-15-21-12(11-5-16(11,18)19)13(22(15)7-9)14(24)8-1-3-10(23)4-2-8/h1-4,6-7,11,23H,5H2/t11-/m0/s1.
What are the key properties of [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone?
[2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 333.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-2,2-difluorocyclopropyl]-6-fluoroimidazo[1,2-a]pyrimidin-3-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 178012639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).