[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C22H28ClN5O — CID 122334059

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)nn1
InChIInChI=1S/C22H28ClN5O/c1-26(2)19-9-10-20(25-24-19)27-13-15-28(16-14-27)21(29)22(11-3-4-12-22)17-5-7-18(23)8-6-17/h5-10H,3-4,11-16H2,1-2H3
InChIKeyPOXRHLBAHIEFIN-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.36
Rot. Bonds4

About [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122334059) has the molecular formula C22H28ClN5O and a molecular weight of 413.95 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122334059
Molecular FormulaC22H28ClN5O
Molecular Weight413.95 g/mol
Exact Mass413.20
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)nn1
InChIInChI=1S/C22H28ClN5O/c1-26(2)19-9-10-20(25-24-19)27-13-15-28(16-14-27)21(29)22(11-3-4-12-22)17-5-7-18(23)8-6-17/h5-10H,3-4,11-16H2,1-2H3
InChIKeyPOXRHLBAHIEFIN-UHFFFAOYSA-N
XLogP3.36
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341570
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340265
[1-(4-chlorophenyl)cyclopropyl]-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 126778055
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284166
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 154575777
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345425
1-(4-chlorophenyl)-4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334066
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122334059) is [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CN(C)c1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)nn1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is POXRHLBAHIEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O/c1-26(2)19-9-10-20(25-24-19)27-13-15-28(16-14-27)21(29)22(11-3-4-12-22)17-5-7-18(23)8-6-17/h5-10H,3-4,11-16H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 413.95 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122334059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).