3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine

C19H17ClN6O2S — CID 46913524

IUPAC3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl
InChIInChI=1S/C19H17ClN6O2S/c1-25(2)29(27,28)24-16-9-15(10-23-19(16)20)17-11-22-18-4-3-14(12-26(17)18)13-5-7-21-8-6-13/h3-12,24H,1-2H3
InChIKeyJUDZWNOMXRLVLB-UHFFFAOYSA-N
MW428.91 g/mol
LogP3.33
Rot. Bonds5

About 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine

3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 46913524) 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]-6-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID46913524
Molecular FormulaC19H17ClN6O2S
Molecular Weight428.91 g/mol
Exact Mass428.08
IUPAC Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl
InChIInChI=1S/C19H17ClN6O2S/c1-25(2)29(27,28)24-16-9-15(10-23-19(16)20)17-11-22-18-4-3-14(12-26(17)18)13-5-7-21-8-6-13/h3-12,24H,1-2H3
InChIKeyJUDZWNOMXRLVLB-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]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine (CID 46913524) is 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine is CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl.
What is the InChIKey of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is JUDZWNOMXRLVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2S/c1-25(2)29(27,28)24-16-9-15(10-23-19(16)20)17-11-22-18-4-3-14(12-26(17)18)13-5-7-21-8-6-13/h3-12,24H,1-2H3.
What are the key properties of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine?
3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-pyridin-4-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]-6-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46913524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).