2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one

C22H27N5O2S — CID 16669511

IUPAC2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C)c1nccn1CCC(=O)N1CCCC(n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C22H27N5O2S/c1-16(2)22-23-10-13-25(22)12-9-20(28)26-11-3-5-17(15-26)27-21(29)8-7-18(24-27)19-6-4-14-30-19/h4,6-8,10,13-14,16-17H,3,5,9,11-12,15H2,1-2H3
InChIKeyUKCUTDFDQSLAKM-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.55
Rot. Bonds6

About 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one

2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16669511) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16669511
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C)c1nccn1CCC(=O)N1CCCC(n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C22H27N5O2S/c1-16(2)22-23-10-13-25(22)12-9-20(28)26-11-3-5-17(15-26)27-21(29)8-7-18(24-27)19-6-4-14-30-19/h4,6-8,10,13-14,16-17H,3,5,9,11-12,15H2,1-2H3
InChIKeyUKCUTDFDQSLAKM-UHFFFAOYSA-N
XLogP3.55
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (CID 16669511) is 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is CC(C)c1nccn1CCC(=O)N1CCCC(n2nc(-c3cccs3)ccc2=O)C1.
What is the InChIKey of 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is UKCUTDFDQSLAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-16(2)22-23-10-13-25(22)12-9-20(28)26-11-3-5-17(15-26)27-21(29)8-7-18(24-27)19-6-4-14-30-19/h4,6-8,10,13-14,16-17H,3,5,9,11-12,15H2,1-2H3.
What are the key properties of 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 425.56 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16669511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).