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

C19H22ClN5O2 — CID 7292483

IUPAC(3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22ClN5O2/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
InChIKeyWBAYZOTXILEQLK-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.93
Rot. Bonds3

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

(3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292483) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292483
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name(3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H22ClN5O2/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
InChIKeyWBAYZOTXILEQLK-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 132261079
4-{6-[4-(3-Methylbenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 6622520
1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one
CID 155161520
(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)(o-tolyl)methanone
CID 7292470
4-{6-[4-(4-Methylbenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 7292471
(3,4-Dimethylphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292472
3-chloro-N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)benzamide
CID 7422421
4-chloro-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422461
(3-Bromophenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 16799795
4-{6-[4-(2,4-Dichlorobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 16799796
4-{6-[4-(5-Bromo-2-chlorobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 16799797
(4-Fluorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292481

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292483) is (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is WBAYZOTXILEQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/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-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 387.87 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).