(3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone

C24H26N4OS — CID 20947300

IUPAC(3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C24H26N4OS/c29-24(28-15-12-20(17-28)18-5-2-1-3-6-18)19-10-13-27(14-11-19)23-9-8-21(25-26-23)22-7-4-16-30-22/h1-9,16,19-20H,10-15,17H2
InChIKeyVFWCOLJQUJRAAG-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.44
Rot. Bonds4

About (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone

(3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone (PubChem CID 20947300) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
PubChem CID20947300
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name(3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C24H26N4OS/c29-24(28-15-12-20(17-28)18-5-2-1-3-6-18)19-10-13-27(14-11-19)23-9-8-21(25-26-23)22-7-4-16-30-22/h1-9,16,19-20H,10-15,17H2
InChIKeyVFWCOLJQUJRAAG-UHFFFAOYSA-N
XLogP4.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pentan-2-ylpiperazin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 20947299
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-(4-nitrophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364097
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
CID 56770286
N-(3,5-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947260
N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071748
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
CID 121072092
1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 121058652
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone (CID 20947300) is (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The InChIKey is VFWCOLJQUJRAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c29-24(28-15-12-20(17-28)18-5-2-1-3-6-18)19-10-13-27(14-11-19)23-9-8-21(25-26-23)22-7-4-16-30-22/h1-9,16,19-20H,10-15,17H2.
What are the key properties of (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone?
(3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone has a molecular weight of 418.57 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 20947300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).