2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

C18H21N3O2S — CID 16671160

IUPAC2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(C1CCC1)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H21N3O2S/c22-17-9-8-15(16-7-3-11-24-16)19-21(17)12-14-6-2-10-20(14)18(23)13-4-1-5-13/h3,7-9,11,13-14H,1-2,4-6,10,12H2/t14-/m0/s1
InChIKeyYHTYRPDXGBZIIQ-AWEZNQCLSA-N
MW343.45 g/mol
LogP2.76
Rot. Bonds4

About 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16671160) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16671160
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(C1CCC1)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H21N3O2S/c22-17-9-8-15(16-7-3-11-24-16)19-21(17)12-14-6-2-10-20(14)18(23)13-4-1-5-13/h3,7-9,11,13-14H,1-2,4-6,10,12H2/t14-/m0/s1
InChIKeyYHTYRPDXGBZIIQ-AWEZNQCLSA-N
XLogP2.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 16676608
2-[2-(1-azepanyl)-2-oxoethyl]-6-(2-thienyl)-3(2H)-pyridazinone
CID 52897462
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-propylpentanamide
CID 16905713
1-{4-[6-Oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]butanoyl}piperidine-4-carboxamide
CID 25854566
2-[[(2R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16671561
2-[[(2R)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 46959205
2-[[(3R)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16675865
2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16675943
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 128972419
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)cyclohexanecarboxamide
CID 16668843
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)cyclopentanecarboxamide
CID 16668845
2-cyclopentyl-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)acetamide
CID 16668846

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (CID 16671160) is 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is O=C(C1CCC1)N1CCC[C@H]1Cn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is YHTYRPDXGBZIIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17-9-8-15(16-7-3-11-24-16)19-21(17)12-14-6-2-10-20(14)18(23)13-4-1-5-13/h3,7-9,11,13-14H,1-2,4-6,10,12H2/t14-/m0/s1.
What are the key properties of 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 343.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16671160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).