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

C19H22BrN5O2 — CID 16799795

IUPAC(3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22BrN5O2/c20-16-3-1-2-15(14-16)19(26)25-8-6-23(7-9-25)17-4-5-18(22-21-17)24-10-12-27-13-11-24/h1-5,14H,6-13H2
InChIKeyXDASNTQOYHJYPY-UHFFFAOYSA-N
MW432.32 g/mol
LogP2.04
Rot. Bonds3

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

(3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16799795) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16799795
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC Name(3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22BrN5O2/c20-16-3-1-2-15(14-16)19(26)25-8-6-23(7-9-25)17-4-5-18(22-21-17)24-10-12-27-13-11-24/h1-5,14H,6-13H2
InChIKeyXDASNTQOYHJYPY-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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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 16799795) is (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is XDASNTQOYHJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c20-16-3-1-2-15(14-16)19(26)25-8-6-23(7-9-25)17-4-5-18(22-21-17)24-10-12-27-13-11-24/h1-5,14H,6-13H2.
What are the key properties of (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3-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 (3-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16799795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).