[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C24H28N6O — CID 122334710

IUPAC[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C24H28N6O/c31-24(20-6-8-21(9-7-20)27-12-4-5-13-27)30-18-16-29(17-19-30)23-11-10-22(25-26-23)28-14-2-1-3-15-28/h4-13H,1-3,14-19H2
InChIKeyZQLRDJMFRDFENK-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.22
Rot. Bonds4

About [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 122334710) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID122334710
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C24H28N6O/c31-24(20-6-8-21(9-7-20)27-12-4-5-13-27)30-18-16-29(17-19-30)23-11-10-22(25-26-23)28-14-2-1-3-15-28/h4-13H,1-3,14-19H2
InChIKeyZQLRDJMFRDFENK-UHFFFAOYSA-N
XLogP3.22
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122333095
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 110803719
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505

Frequently Asked Questions

What is the IUPAC name of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 122334710) is [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is ZQLRDJMFRDFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c31-24(20-6-8-21(9-7-20)27-12-4-5-13-27)30-18-16-29(17-19-30)23-11-10-22(25-26-23)28-14-2-1-3-15-28/h4-13H,1-3,14-19H2.
What are the key properties of [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 416.53 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 122334710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).