(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C16H15BrN6O2 — CID 30867934

IUPAC(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H15BrN6O2/c17-13-3-2-12(25-13)16(24)22-8-6-21(7-9-22)14-10-15(19-11-18-14)23-5-1-4-20-23/h1-5,10-11H,6-9H2
InChIKeyGHQBSSJAAILRAC-UHFFFAOYSA-N
MW403.24 g/mol
LogP1.98
Rot. Bonds3

About (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 30867934) has the molecular formula C16H15BrN6O2 and a molecular weight of 403.24 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID30867934
Molecular FormulaC16H15BrN6O2
Molecular Weight403.24 g/mol
Exact Mass402.04
IUPAC Name(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H15BrN6O2/c17-13-3-2-12(25-13)16(24)22-8-6-21(7-9-22)14-10-15(19-11-18-14)23-5-1-4-20-23/h1-5,10-11H,6-9H2
InChIKeyGHQBSSJAAILRAC-UHFFFAOYSA-N
XLogP1.98
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 30867934) is (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is GHQBSSJAAILRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O2/c17-13-3-2-12(25-13)16(24)22-8-6-21(7-9-22)14-10-15(19-11-18-14)23-5-1-4-20-23/h1-5,10-11H,6-9H2.
What are the key properties of (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 403.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 30867934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).