1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine

C19H28N6O2S — CID 126893366

IUPAC1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESCC(C)c1nc(S(=O)(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)cn1C
InChIInChI=1S/C19H28N6O2S/c1-15(2)19-21-18(14-22(19)3)28(26,27)25-12-16(13-25)23-8-10-24(11-9-23)17-6-4-5-7-20-17/h4-7,14-16H,8-13H2,1-3H3
InChIKeyWZOQNXHLEXIKES-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.13
Rot. Bonds5

About 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine

1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine (PubChem CID 126893366) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
PubChem CID126893366
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESCC(C)c1nc(S(=O)(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)cn1C
InChIInChI=1S/C19H28N6O2S/c1-15(2)19-21-18(14-22(19)3)28(26,27)25-12-16(13-25)23-8-10-24(11-9-23)17-6-4-5-7-20-17/h4-7,14-16H,8-13H2,1-3H3
InChIKeyWZOQNXHLEXIKES-UHFFFAOYSA-N
XLogP1.13
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893449
3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
CID 122336564
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931683
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
2-methyl-4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337910
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933358
5-methyl-1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 122106242
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
(E)-3-(4-propan-2-ylphenyl)-1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]prop-2-en-1-one
CID 68782006

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine (CID 126893366) is 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine is CC(C)c1nc(S(=O)(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)cn1C.
What is the InChIKey of 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
The InChIKey is WZOQNXHLEXIKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-15(2)19-21-18(14-22(19)3)28(26,27)25-12-16(13-25)23-8-10-24(11-9-23)17-6-4-5-7-20-17/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine has a molecular weight of 404.54 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 126893366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).