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

C19H21N5O2S — CID 46959013

IUPAC2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(CCn1ccnc1)N1CCCC(n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C19H21N5O2S/c25-18(7-10-22-11-8-20-14-22)23-9-1-3-15(13-23)24-19(26)6-5-16(21-24)17-4-2-12-27-17/h2,4-6,8,11-12,14-15H,1,3,7,9-10,13H2
InChIKeyKZSYSHAOYPQXSG-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.42
Rot. Bonds5

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

2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 46959013) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID46959013
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(CCn1ccnc1)N1CCCC(n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C19H21N5O2S/c25-18(7-10-22-11-8-20-14-22)23-9-1-3-15(13-23)24-19(26)6-5-16(21-24)17-4-2-12-27-17/h2,4-6,8,11-12,14-15H,1,3,7,9-10,13H2
InChIKeyKZSYSHAOYPQXSG-UHFFFAOYSA-N
XLogP2.42
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (CID 46959013) is 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is O=C(CCn1ccnc1)N1CCCC(n2nc(-c3cccs3)ccc2=O)C1.
What is the InChIKey of 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is KZSYSHAOYPQXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-18(7-10-22-11-8-20-14-22)23-9-1-3-15(13-23)24-19(26)6-5-16(21-24)17-4-2-12-27-17/h2,4-6,8,11-12,14-15H,1,3,7,9-10,13H2.
What are the key properties of 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 383.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-imidazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 46959013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).