(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H22BrN5O2 — CID 20867063

IUPAC(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22BrN5O2/c20-16-3-1-15(2-4-16)19(26)25-9-7-23(8-10-25)17-5-6-18(22-21-17)24-11-13-27-14-12-24/h1-6H,7-14H2
InChIKeyZASUXVKFAANMJX-UHFFFAOYSA-N
MW432.32 g/mol
LogP2.04
Rot. Bonds3

About (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 20867063) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID20867063
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC Name(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22BrN5O2/c20-16-3-1-15(2-4-16)19(26)25-9-7-23(8-10-25)17-5-6-18(22-21-17)24-11-13-27-14-12-24/h1-6H,7-14H2
InChIKeyZASUXVKFAANMJX-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748441
(3,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867062
(4-bromothiophen-2-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335278
(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053372
[4-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 5307516
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
(4-bromophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064797
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
1-[4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122336493

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 20867063) is (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is ZASUXVKFAANMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c20-16-3-1-15(2-4-16)19(26)25-9-7-23(8-10-25)17-5-6-18(22-21-17)24-11-13-27-14-12-24/h1-6H,7-14H2.
What are the key properties of (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 432.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 20867063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).