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

C24H26ClN5O — CID 122341570

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(-n3cccc3)nn2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C24H26ClN5O/c25-20-7-5-19(6-8-20)24(11-1-2-12-24)23(31)30-17-15-29(16-18-30)22-10-9-21(26-27-22)28-13-3-4-14-28/h3-10,13-14H,1-2,11-12,15-18H2
InChIKeyQKJFWXPAFQUWFK-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.08
Rot. Bonds4

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

[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122341570) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122341570
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccc(-n3cccc3)nn2)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C24H26ClN5O/c25-20-7-5-19(6-8-20)24(11-1-2-12-24)23(31)30-17-15-29(16-18-30)22-10-9-21(26-27-22)28-13-3-4-14-28/h3-10,13-14H,1-2,11-12,15-18H2
InChIKeyQKJFWXPAFQUWFK-UHFFFAOYSA-N
XLogP4.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334059
[1-(4-chlorophenyl)cyclopropyl]-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 126778055
N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122341455
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-fluorophenyl)cyclopropyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334418
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284166
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340265
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
[1-(4-chlorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31564704
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122341570) is [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(N1CCN(c2ccc(-n3cccc3)nn2)CC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is QKJFWXPAFQUWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c25-20-7-5-19(6-8-20)24(11-1-2-12-24)23(31)30-17-15-29(16-18-30)22-10-9-21(26-27-22)28-13-3-4-14-28/h3-10,13-14H,1-2,11-12,15-18H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 435.96 g/mol, XLogP of 4.08, 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-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122341570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).