2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one

C23H23N5O2S — CID 95797607

IUPAC2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(CCn1ncc2ccccc21)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C23H23N5O2S/c29-22(11-13-27-20-7-2-1-5-17(20)15-24-27)26-12-3-6-18(16-26)28-23(30)10-9-19(25-28)21-8-4-14-31-21/h1-2,4-5,7-10,14-15,18H,3,6,11-13,16H2/t18-/m0/s1
InChIKeyFELJCSFZSWWJCQ-SFHVURJKSA-N
MW433.54 g/mol
LogP3.58
Rot. Bonds5

About 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one

2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 95797607) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID95797607
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(CCn1ncc2ccccc21)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C23H23N5O2S/c29-22(11-13-27-20-7-2-1-5-17(20)15-24-27)26-12-3-6-18(16-26)28-23(30)10-9-19(25-28)21-8-4-14-31-21/h1-2,4-5,7-10,14-15,18H,3,6,11-13,16H2/t18-/m0/s1
InChIKeyFELJCSFZSWWJCQ-SFHVURJKSA-N
XLogP3.58
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one with MolForge

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Related Compounds

(3S)-3-[2-oxo-2-[(3R)-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 95797611
(3S)-3-[2-oxo-2-[(3S)-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 95797609
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797622
2-[(3S)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797616
2-[1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 110214063
2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 110214070
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95829634
2-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 46959195
5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471
5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325110
2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 95791832
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110259297

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (CID 95797607) is 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is O=C(CCn1ncc2ccccc21)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1.
What is the InChIKey of 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is FELJCSFZSWWJCQ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23N5O2S/c29-22(11-13-27-20-7-2-1-5-17(20)15-24-27)26-12-3-6-18(16-26)28-23(30)10-9-19(25-28)21-8-4-14-31-21/h1-2,4-5,7-10,14-15,18H,3,6,11-13,16H2/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 433.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 95797607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).