3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine

C19H17ClN6O2S — CID 46913617

IUPAC3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl
InChIInChI=1S/C19H17ClN6O2S/c1-25(2)29(27,28)24-16-8-15(11-23-19(16)20)17-12-22-18-9-13(5-7-26(17)18)14-4-3-6-21-10-14/h3-12,24H,1-2H3
InChIKeyOSTBUXXDCRXENK-UHFFFAOYSA-N
MW428.91 g/mol
LogP3.33
Rot. Bonds5

About 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine

3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine (PubChem CID 46913617) has the molecular formula C19H17ClN6O2S and a molecular weight of 428.91 g/mol. Its IUPAC name is 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine
PubChem CID46913617
Molecular FormulaC19H17ClN6O2S
Molecular Weight428.91 g/mol
Exact Mass428.08
IUPAC Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl
InChIInChI=1S/C19H17ClN6O2S/c1-25(2)29(27,28)24-16-8-15(11-23-19(16)20)17-12-22-18-9-13(5-7-26(17)18)14-4-3-6-21-10-14/h3-12,24H,1-2H3
InChIKeyOSTBUXXDCRXENK-UHFFFAOYSA-N
XLogP3.33
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine (CID 46913617) is 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine is CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl.
What is the InChIKey of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine?
The InChIKey is OSTBUXXDCRXENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2S/c1-25(2)29(27,28)24-16-8-15(11-23-19(16)20)17-12-22-18-9-13(5-7-26(17)18)14-4-3-6-21-10-14/h3-12,24H,1-2H3.
What are the key properties of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine?
3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine has a molecular weight of 428.91 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-pyridin-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46913617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).