azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid

C19H25N5O7S — CID 155873678

IUPACazetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid
SMILESO=C(N1CCC1)C1(n2ccnc2)CCN(S(=O)(=O)c2cccnc2)CC1.O=CO.O=CO
InChIInChI=1S/C17H21N5O3S.2CH2O2/c23-16(20-8-2-9-20)17(21-12-7-19-14-21)4-10-22(11-5-17)26(24,25)15-3-1-6-18-13-15;2*2-1-3/h1,3,6-7,12-14H,2,4-5,8-11H2;2*1H,(H,2,3)
InChIKeyHACDOHSKPZDAGI-UHFFFAOYSA-N
MW467.50 g/mol
LogP0.09
Rot. Bonds4

About azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid

azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid (PubChem CID 155873678) has the molecular formula C19H25N5O7S and a molecular weight of 467.50 g/mol. Its IUPAC name is azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid.

Molecular Properties

Compound Nameazetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid
PubChem CID155873678
Molecular FormulaC19H25N5O7S
Molecular Weight467.50 g/mol
Exact Mass467.15
IUPAC Nameazetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid
SMILESO=C(N1CCC1)C1(n2ccnc2)CCN(S(=O)(=O)c2cccnc2)CC1.O=CO.O=CO
InChIInChI=1S/C17H21N5O3S.2CH2O2/c23-16(20-8-2-9-20)17(21-12-7-19-14-21)4-10-22(11-5-17)26(24,25)15-3-1-6-18-13-15;2*2-1-3/h1,3,6-7,12-14H,2,4-5,8-11H2;2*1H,(H,2,3)
InChIKeyHACDOHSKPZDAGI-UHFFFAOYSA-N
XLogP0.09
TPSA163.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
CID 63125638
1-(4-fluorophenyl)sulfonyl-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874322
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-(4-imidazol-1-yl-1,1-dioxothian-4-yl)methanone
CID 85103336
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
3-fluoro-1-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529795
(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159618
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid?
The IUPAC name of azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid (CID 155873678) is azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid.
What is the SMILES notation for azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid?
The canonical SMILES for azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid is O=C(N1CCC1)C1(n2ccnc2)CCN(S(=O)(=O)c2cccnc2)CC1.O=CO.O=CO.
What is the InChIKey of azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid?
The InChIKey is HACDOHSKPZDAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S.2CH2O2/c23-16(20-8-2-9-20)17(21-12-7-19-14-21)4-10-22(11-5-17)26(24,25)15-3-1-6-18-13-15;2*2-1-3/h1,3,6-7,12-14H,2,4-5,8-11H2;2*1H,(H,2,3).
What are the key properties of azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid?
azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid has a molecular weight of 467.50 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-imidazol-1-yl-1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone;formic acid is sourced from PubChem (CID 155873678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).