(5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H21BrClN5O2 — CID 16799797

IUPAC(5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H21BrClN5O2/c20-14-1-2-16(21)15(13-14)19(27)26-7-5-24(6-8-26)17-3-4-18(23-22-17)25-9-11-28-12-10-25/h1-4,13H,5-12H2
InChIKeyPSOMIUGYJUZVOG-UHFFFAOYSA-N
MW466.77 g/mol
LogP2.69
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16799797) has the molecular formula C19H21BrClN5O2 and a molecular weight of 466.77 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16799797
Molecular FormulaC19H21BrClN5O2
Molecular Weight466.77 g/mol
Exact Mass465.06
IUPAC Name(5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H21BrClN5O2/c20-14-1-2-16(21)15(13-14)19(27)26-7-5-24(6-8-26)17-3-4-18(23-22-17)25-9-11-28-12-10-25/h1-4,13H,5-12H2
InChIKeyPSOMIUGYJUZVOG-UHFFFAOYSA-N
XLogP2.69
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 16799797) is (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is PSOMIUGYJUZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN5O2/c20-14-1-2-16(21)15(13-14)19(27)26-7-5-24(6-8-26)17-3-4-18(23-22-17)25-9-11-28-12-10-25/h1-4,13H,5-12H2.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 466.77 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16799797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).