imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

C18H17N5O5S — CID 26765089

IUPACimidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H17N5O5S/c24-18(16-13-21-8-2-1-3-17(21)19-16)20-9-11-22(12-10-20)29(27,28)15-6-4-14(5-7-15)23(25)26/h1-8,13H,9-12H2
InChIKeyMPVJGEDVCBHWTG-UHFFFAOYSA-N
MW415.43 g/mol
LogP1.39
Rot. Bonds4

About imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 26765089) has the molecular formula C18H17N5O5S and a molecular weight of 415.43 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID26765089
Molecular FormulaC18H17N5O5S
Molecular Weight415.43 g/mol
Exact Mass415.10
IUPAC Nameimidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H17N5O5S/c24-18(16-13-21-8-2-1-3-17(21)19-16)20-9-11-22(12-10-20)29(27,28)15-6-4-14(5-7-15)23(25)26/h1-8,13H,9-12H2
InChIKeyMPVJGEDVCBHWTG-UHFFFAOYSA-N
XLogP1.39
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone
CID 19132990
[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 26203550
(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 26781814
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 26202304
[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 24673001
(5-methyl-1,2-oxazol-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 55339444
[4-(benzenesulfonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 7535276
N,N-dimethyl-3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzenesulfonamide
CID 26867736
(E)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9496267
[(1S,2R)-2-methylcyclopropyl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 9496274
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-nitroanilino)ethanone
CID 9082198
(3-methyl-4-nitrophenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26867766

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone (CID 26765089) is imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MPVJGEDVCBHWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5S/c24-18(16-13-21-8-2-1-3-17(21)19-16)20-9-11-22(12-10-20)29(27,28)15-6-4-14(5-7-15)23(25)26/h1-8,13H,9-12H2.
What are the key properties of imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 415.43 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 26765089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).