[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone

C14H15BrN4O2 — CID 43461882

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cn1
InChIInChI=1S/C14H15BrN4O2/c15-12-3-2-11(21-12)14(20)19-7-5-18(6-8-19)10-1-4-13(16)17-9-10/h1-4,9H,5-8H2,(H2,16,17)
InChIKeyFZFUIARZCTUHDQ-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.98
Rot. Bonds2

About [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone (PubChem CID 43461882) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
PubChem CID43461882
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cn1
InChIInChI=1S/C14H15BrN4O2/c15-12-3-2-11(21-12)14(20)19-7-5-18(6-8-19)10-1-4-13(16)17-9-10/h1-4,9H,5-8H2,(H2,16,17)
InChIKeyFZFUIARZCTUHDQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-aminophenyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461710
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276664
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone (CID 43461882) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone is Nc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cn1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
The InChIKey is FZFUIARZCTUHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c15-12-3-2-11(21-12)14(20)19-7-5-18(6-8-19)10-1-4-13(16)17-9-10/h1-4,9H,5-8H2,(H2,16,17).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone has a molecular weight of 351.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 43461882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).