2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H28N6O3S — CID 126914434

IUPAC2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)c1
InChIInChI=1S/C19H28N6O3S/c1-15(2)23-13-18(20-14-23)29(27,28)24-9-6-22(7-10-24)8-11-25-19(26)12-16-4-3-5-17(16)21-25/h12-15H,3-11H2,1-2H3
InChIKeyOGIYRGJXSAAKKU-UHFFFAOYSA-N
MW420.54 g/mol
LogP0.52
Rot. Bonds6

About 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126914434) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126914434
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC Name2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)c1
InChIInChI=1S/C19H28N6O3S/c1-15(2)23-13-18(20-14-23)29(27,28)24-9-6-22(7-10-24)8-11-25-19(26)12-16-4-3-5-17(16)21-25/h12-15H,3-11H2,1-2H3
InChIKeyOGIYRGJXSAAKKU-UHFFFAOYSA-N
XLogP0.52
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

12-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911220
2-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914452
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914596
2-[2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914413
2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914663
6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
CID 126941615
2-[2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914738
2-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914877
2-[2-[4-[2-(3-methylimidazol-4-yl)ethyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915027
2-[2-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914572

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126914434) is 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C)n1cnc(S(=O)(=O)N2CCN(CCn3nc4c(cc3=O)CCC4)CC2)c1.
What is the InChIKey of 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is OGIYRGJXSAAKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-15(2)23-13-18(20-14-23)29(27,28)24-9-6-22(7-10-24)8-11-25-19(26)12-16-4-3-5-17(16)21-25/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 420.54 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126914434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).