1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine

C16H22N6O2S — CID 126893449

IUPAC1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESCn1cc(S(=O)(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C16H22N6O2S/c1-19-13-15(10-18-19)25(23,24)22-11-14(12-22)20-6-8-21(9-7-20)16-4-2-3-5-17-16/h2-5,10,13-14H,6-9,11-12H2,1H3
InChIKeyZJWXIYJEQFJXAT-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.01
Rot. Bonds4

About 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine

1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine (PubChem CID 126893449) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
PubChem CID126893449
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
SMILESCn1cc(S(=O)(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C16H22N6O2S/c1-19-13-15(10-18-19)25(23,24)22-11-14(12-22)20-6-8-21(9-7-20)16-4-2-3-5-17-16/h2-5,10,13-14H,6-9,11-12H2,1H3
InChIKeyZJWXIYJEQFJXAT-UHFFFAOYSA-N
XLogP0.01
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893366
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
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
2-methyl-5-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazin-3-one
CID 126893477
1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893462
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridin-2-one
CID 126893507
6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
CID 126893492
1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893375
4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine
CID 95846072

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine (CID 126893449) is 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine is Cn1cc(S(=O)(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)cn1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
The InChIKey is ZJWXIYJEQFJXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-19-13-15(10-18-19)25(23,24)22-11-14(12-22)20-6-8-21(9-7-20)16-4-2-3-5-17-16/h2-5,10,13-14H,6-9,11-12H2,1H3.
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine?
1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine has a molecular weight of 362.46 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 126893449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).