[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C17H22N6O3S — CID 62705154

IUPAC[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cn1
InChIInChI=1S/C17H22N6O3S/c1-20-13-16(10-19-20)27(25,26)23-11-14(12-23)17(24)22-8-6-21(7-9-22)15-2-4-18-5-3-15/h2-5,10,13-14H,6-9,11-12H2,1H3
InChIKeyZWUFGCGQQCGVHG-UHFFFAOYSA-N
MW390.47 g/mol
LogP-0.22
Rot. Bonds4

About [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 62705154) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID62705154
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCn1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cn1
InChIInChI=1S/C17H22N6O3S/c1-20-13-16(10-19-20)27(25,26)23-11-14(12-23)17(24)22-8-6-21(7-9-22)15-2-4-18-5-3-15/h2-5,10,13-14H,6-9,11-12H2,1H3
InChIKeyZWUFGCGQQCGVHG-UHFFFAOYSA-N
XLogP-0.22
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
[1-[(6-Chloro-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705316
[1-[(2-Chloro-3-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705484
[1-(3-Fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62707585
(4-Pyridin-4-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]sulfonylazetidin-3-yl]methanone
CID 62705486
[1-[(4-Methyl-2-pyridinyl)sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62707588
(1S,11S)-14-(1-ethylpyrazol-4-yl)sulfonyl-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202069
12-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-1-[(pyridin-4-YL)methyl]-tetradecahydro-1H-pyrido[3,4-B]1,5-diazacycloundecan-9-one
CID 110202149
3-({4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidin-1-yl}sulfonyl)pyridine
CID 71781247
1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-(pyridin-3-ylsulfonyl)piperazine
CID 71783866
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-N-methyl-N-[(pyridin-3-YL)methyl]azetidin-3-amine
CID 91903879
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-N-(2-methylpropyl)-N-[(pyridin-3-YL)methyl]azetidin-3-amine
CID 91913629

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 62705154) is [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is Cn1cc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccncc4)CC3)C2)cn1.
What is the InChIKey of [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is ZWUFGCGQQCGVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c1-20-13-16(10-19-20)27(25,26)23-11-14(12-23)17(24)22-8-6-21(7-9-22)15-2-4-18-5-3-15/h2-5,10,13-14H,6-9,11-12H2,1H3.
What are the key properties of [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 390.47 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62705154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).