2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C18H19N5O4S — CID 90571624

IUPAC2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H19N5O4S/c24-23(25)17-6-1-2-7-18(17)28(26,27)21-11-9-20(10-12-21)14-15-13-16-5-3-4-8-22(16)19-15/h1-8,13H,9-12,14H2
InChIKeyRPMZZGYNJNJNHH-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.75
Rot. Bonds5

About 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 90571624) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID90571624
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1
InChIInChI=1S/C18H19N5O4S/c24-23(25)17-6-1-2-7-18(17)28(26,27)21-11-9-20(10-12-21)14-15-13-16-5-3-4-8-22(16)19-15/h1-8,13H,9-12,14H2
InChIKeyRPMZZGYNJNJNHH-UHFFFAOYSA-N
XLogP1.75
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.75
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

2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571628
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571604
2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571656
2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571649
2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571659
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571641
2-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571670
2-[(4-propylsulfonylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyridine
CID 90571603
(4-chloro-3-nitrophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571420
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746594
1-[(5-methylfuran-2-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 17060368
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 90571624) is 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc3ccccn3n2)CC1.
What is the InChIKey of 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is RPMZZGYNJNJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c24-23(25)17-6-1-2-7-18(17)28(26,27)21-11-9-20(10-12-21)14-15-13-16-5-3-4-8-22(16)19-15/h1-8,13H,9-12,14H2.
What are the key properties of 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 401.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90571624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).