6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine

C18H14ClN5O4S — CID 25023757

IUPAC6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2c(C)nc3ccc(Cl)cn23)n1
InChIInChI=1S/C18H14ClN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
InChIKeyQIKXXCYXJXZMOW-UHFFFAOYSA-N
MW431.86 g/mol
LogP3.61
Rot. Bonds4

About 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine

6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 25023757) has the molecular formula C18H14ClN5O4S and a molecular weight of 431.86 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID25023757
Molecular FormulaC18H14ClN5O4S
Molecular Weight431.86 g/mol
Exact Mass431.05
IUPAC Name6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2c(C)nc3ccc(Cl)cn23)n1
InChIInChI=1S/C18H14ClN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
InChIKeyQIKXXCYXJXZMOW-UHFFFAOYSA-N
XLogP3.61
TPSA112.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 53.61
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-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine (CID 25023757) is 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2c(C)nc3ccc(Cl)cn23)n1.
What is the InChIKey of 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is QIKXXCYXJXZMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine?
6-chloro-2-methyl-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 431.86 g/mol, XLogP of 3.61, 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-(2-methyl-5-nitrophenyl)sulfonylpyrazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 25023757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).