6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine

C17H12ClN5O4S — CID 25023756

IUPAC6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(Cl)cn2c1-c1ccn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H12ClN5O4S/c1-11-17(21-10-12(18)5-6-16(21)19-11)15-7-8-22(20-15)28(26,27)14-4-2-3-13(9-14)23(24)25/h2-10H,1H3
InChIKeyOGTVETDRQHQBEX-UHFFFAOYSA-N
MW417.83 g/mol
LogP3.30
Rot. Bonds4

About 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine

6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 25023756) has the molecular formula C17H12ClN5O4S and a molecular weight of 417.83 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID25023756
Molecular FormulaC17H12ClN5O4S
Molecular Weight417.83 g/mol
Exact Mass417.03
IUPAC Name6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(Cl)cn2c1-c1ccn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H12ClN5O4S/c1-11-17(21-10-12(18)5-6-16(21)19-11)15-7-8-22(20-15)28(26,27)14-4-2-3-13(9-14)23(24)25/h2-10H,1H3
InChIKeyOGTVETDRQHQBEX-UHFFFAOYSA-N
XLogP3.30
TPSA112.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine (CID 25023756) is 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine is Cc1nc2ccc(Cl)cn2c1-c1ccn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is OGTVETDRQHQBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O4S/c1-11-17(21-10-12(18)5-6-16(21)19-11)15-7-8-22(20-15)28(26,27)14-4-2-3-13(9-14)23(24)25/h2-10H,1H3.
What are the key properties of 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 417.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-[1-(3-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 25023756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).