6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one

C22H17BrN4O4 — CID 41233205

IUPAC6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C22H17BrN4O4/c23-15-3-5-18-14(12-15)13-16(22(29)31-18)21(28)27-9-7-26(8-10-27)20-6-4-17(24-25-20)19-2-1-11-30-19/h1-6,11-13H,7-10H2
InChIKeyWAMCMGPAJZTEOF-UHFFFAOYSA-N
MW481.31 g/mol
LogP3.57
Rot. Bonds3

About 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one

6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one (PubChem CID 41233205) has the molecular formula C22H17BrN4O4 and a molecular weight of 481.31 g/mol. Its IUPAC name is 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one
PubChem CID41233205
Molecular FormulaC22H17BrN4O4
Molecular Weight481.31 g/mol
Exact Mass480.04
IUPAC Name6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C22H17BrN4O4/c23-15-3-5-18-14(12-15)13-16(22(29)31-18)21(28)27-9-7-26(8-10-27)20-6-4-17(24-25-20)19-2-1-11-30-19/h1-6,11-13H,7-10H2
InChIKeyWAMCMGPAJZTEOF-UHFFFAOYSA-N
XLogP3.57
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-oxochromene-3-carboxamide
CID 41077653
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511
6-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-2-one
CID 1043849
(2-chloro-4-nitrophenyl)-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 41233115
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 18569361
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121058795
6,8-dibromo-3-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
CID 90539577
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 41233117
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
6,8-dibromo-3-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one
CID 90516779

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one?
The IUPAC name of 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one (CID 41233205) is 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one.
What is the SMILES notation for 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one?
The canonical SMILES for 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one is O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one?
The InChIKey is WAMCMGPAJZTEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O4/c23-15-3-5-18-14(12-15)13-16(22(29)31-18)21(28)27-9-7-26(8-10-27)20-6-4-17(24-25-20)19-2-1-11-30-19/h1-6,11-13H,7-10H2.
What are the key properties of 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one?
6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one has a molecular weight of 481.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one is sourced from PubChem (CID 41233205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).