1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone

C18H14BrN5O — CID 58446907

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
SMILESCn1ncc(Br)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C18H14BrN5O/c1-23-17(14(19)10-20-23)16(25)9-13-7-8-24-11-15(22-18(24)21-13)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeyHURKFSJFMQXGOU-UHFFFAOYSA-N
MW396.25 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone (PubChem CID 58446907) has the molecular formula C18H14BrN5O and a molecular weight of 396.25 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
PubChem CID58446907
Molecular FormulaC18H14BrN5O
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
SMILESCn1ncc(Br)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C18H14BrN5O/c1-23-17(14(19)10-20-23)16(25)9-13-7-8-24-11-15(22-18(24)21-13)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeyHURKFSJFMQXGOU-UHFFFAOYSA-N
XLogP3.32
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone (CID 58446907) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone is Cn1ncc(Br)c1C(=O)Cc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
The InChIKey is HURKFSJFMQXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O/c1-23-17(14(19)10-20-23)16(25)9-13-7-8-24-11-15(22-18(24)21-13)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone has a molecular weight of 396.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone is sourced from PubChem (CID 58446907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).