3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine

C22H25N3OS — CID 66630475

IUPAC3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine
SMILESCC1CCCN1CCCOc1ccc(-c2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C22H25N3OS/c1-17-5-2-13-25(17)14-4-15-26-19-9-7-18(8-10-19)20-11-12-21(24-23-20)22-6-3-16-27-22/h3,6-12,16-17H,2,4-5,13-15H2,1H3
InChIKeyAWWYLUCTZLYBTG-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.13
Rot. Bonds7

About 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine

3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine (PubChem CID 66630475) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine
PubChem CID66630475
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine
SMILESCC1CCCN1CCCOc1ccc(-c2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C22H25N3OS/c1-17-5-2-13-25(17)14-4-15-26-19-9-7-18(8-10-19)20-11-12-21(24-23-20)22-6-3-16-27-22/h3,6-12,16-17H,2,4-5,13-15H2,1H3
InChIKeyAWWYLUCTZLYBTG-UHFFFAOYSA-N
XLogP5.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one
CID 67010937
2-benzyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363720
5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
3-[difluoro-(2-fluoro-4-methylphenyl)methoxy]-6-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine
CID 90097875
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
4-chloro-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 74940813
4-benzyl-2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 59651910
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one
CID 57401094

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine (CID 66630475) is 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine is CC1CCCN1CCCOc1ccc(-c2ccc(-c3cccs3)nn2)cc1.
What is the InChIKey of 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine?
The InChIKey is AWWYLUCTZLYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-17-5-2-13-25(17)14-4-15-26-19-9-7-18(8-10-19)20-11-12-21(24-23-20)22-6-3-16-27-22/h3,6-12,16-17H,2,4-5,13-15H2,1H3.
What are the key properties of 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine?
3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine has a molecular weight of 379.53 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 66630475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).