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

C25H23N5O — CID 122341423

IUPAC(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C25H23N5O/c31-25(22-10-8-21(9-11-22)20-6-2-1-3-7-20)30-18-16-29(17-19-30)24-13-12-23(26-27-24)28-14-4-5-15-28/h1-15H,16-19H2
InChIKeyWCIBXSJOXHPYSO-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.90
Rot. Bonds4

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

(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122341423) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122341423
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C25H23N5O/c31-25(22-10-8-21(9-11-22)20-6-2-1-3-7-20)30-18-16-29(17-19-30)24-13-12-23(26-27-24)28-14-4-5-15-28/h1-15H,16-19H2
InChIKeyWCIBXSJOXHPYSO-UHFFFAOYSA-N
XLogP3.90
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
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[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
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phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
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(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
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[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]-quinoxalin-6-ylmethanone
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[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
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(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342182
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122341423) is (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is WCIBXSJOXHPYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(22-10-8-21(9-11-22)20-6-2-1-3-7-20)30-18-16-29(17-19-30)24-13-12-23(26-27-24)28-14-4-5-15-28/h1-15H,16-19H2.
What are the key properties of (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 409.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122341423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).