[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate

C20H24N6O4S — CID 91501621

IUPAC[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate
SMILESCC(C)c1[nH]c(=S)n(-c2ccc(OC(=O)N3CCC(On4cccn4)CC3)cn2)c1O
InChIInChI=1S/C20H24N6O4S/c1-13(2)17-18(27)26(19(31)23-17)16-5-4-15(12-21-16)29-20(28)24-10-6-14(7-11-24)30-25-9-3-8-22-25/h3-5,8-9,12-14,27H,6-7,10-11H2,1-2H3,(H,23,31)
InChIKeyAZZUTVGCZCHBIJ-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.05
Rot. Bonds5

About [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate

[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate (PubChem CID 91501621) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate
PubChem CID91501621
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate
SMILESCC(C)c1[nH]c(=S)n(-c2ccc(OC(=O)N3CCC(On4cccn4)CC3)cn2)c1O
InChIInChI=1S/C20H24N6O4S/c1-13(2)17-18(27)26(19(31)23-17)16-5-4-15(12-21-16)29-20(28)24-10-6-14(7-11-24)30-25-9-3-8-22-25/h3-5,8-9,12-14,27H,6-7,10-11H2,1-2H3,(H,23,31)
InChIKeyAZZUTVGCZCHBIJ-UHFFFAOYSA-N
XLogP3.05
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyridin-2-ylpiperazine-1-carboxylate
CID 90791213
4-[[1-[[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl]oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 91475115
[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-[2-(1H-pyrrol-2-yl)ethyl]piperazine-1-carboxylate
CID 91383798
(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
CID 58270753
[6-(5-oxo-4-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)-3-pyridinyl] 4-(5-chloro-2-pyridinyl)piperazine-1-carboxylate
CID 11306046
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 90566486
[6-(5-oxo-4-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)-3-pyridinyl] 4-[2-(1-methylimidazol-4-yl)ethyl]piperazine-1-carboxylate
CID 57456052
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353

Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate?
The IUPAC name of [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate (CID 91501621) is [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate.
What is the SMILES notation for [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate?
The canonical SMILES for [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate is CC(C)c1[nH]c(=S)n(-c2ccc(OC(=O)N3CCC(On4cccn4)CC3)cn2)c1O.
What is the InChIKey of [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate?
The InChIKey is AZZUTVGCZCHBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-13(2)17-18(27)26(19(31)23-17)16-5-4-15(12-21-16)29-20(28)24-10-6-14(7-11-24)30-25-9-3-8-22-25/h3-5,8-9,12-14,27H,6-7,10-11H2,1-2H3,(H,23,31).
What are the key properties of [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate?
[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate has a molecular weight of 444.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyrazol-1-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 91501621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).