1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone

C19H16BrN5O — CID 58446902

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
SMILESCc1nn(C)c(C(=O)Cc2ccn3cc(-c4ccccc4)nc3n2)c1Br
InChIInChI=1S/C19H16BrN5O/c1-12-17(20)18(24(2)23-12)16(26)10-14-8-9-25-11-15(22-19(25)21-14)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyDDFLGJBDYGATCV-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone (PubChem CID 58446902) has the molecular formula C19H16BrN5O and a molecular weight of 410.28 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
PubChem CID58446902
Molecular FormulaC19H16BrN5O
Molecular Weight410.28 g/mol
Exact Mass409.05
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone
SMILESCc1nn(C)c(C(=O)Cc2ccn3cc(-c4ccccc4)nc3n2)c1Br
InChIInChI=1S/C19H16BrN5O/c1-12-17(20)18(24(2)23-12)16(26)10-14-8-9-25-11-15(22-19(25)21-14)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyDDFLGJBDYGATCV-UHFFFAOYSA-N
XLogP3.63
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone (CID 58446902) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone is Cc1nn(C)c(C(=O)Cc2ccn3cc(-c4ccccc4)nc3n2)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
The InChIKey is DDFLGJBDYGATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O/c1-12-17(20)18(24(2)23-12)16(26)10-14-8-9-25-11-15(22-19(25)21-14)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone has a molecular weight of 410.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)ethanone is sourced from PubChem (CID 58446902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).