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

C20H16ClF3N6O2S — CID 46913525

IUPAC3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccnc(C(F)(F)F)c4)cn23)cnc1Cl
InChIInChI=1S/C20H16ClF3N6O2S/c1-29(2)33(31,32)28-15-7-14(9-27-19(15)21)16-10-26-18-4-3-13(11-30(16)18)12-5-6-25-17(8-12)20(22,23)24/h3-11,28H,1-2H3
InChIKeyGNNRQHDJZBRNER-UHFFFAOYSA-N
MW496.90 g/mol
LogP4.35
Rot. Bonds5

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

3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 46913525) has the molecular formula C20H16ClF3N6O2S and a molecular weight of 496.90 g/mol. Its IUPAC name is 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID46913525
Molecular FormulaC20H16ClF3N6O2S
Molecular Weight496.90 g/mol
Exact Mass496.07
IUPAC Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccnc(C(F)(F)F)c4)cn23)cnc1Cl
InChIInChI=1S/C20H16ClF3N6O2S/c1-29(2)33(31,32)28-15-7-14(9-27-19(15)21)16-10-26-18-4-3-13(11-30(16)18)12-5-6-25-17(8-12)20(22,23)24/h3-11,28H,1-2H3
InChIKeyGNNRQHDJZBRNER-UHFFFAOYSA-N
XLogP4.35
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.90
LogP ≤ 54.35
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-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine (CID 46913525) is 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine is CN(C)S(=O)(=O)Nc1cc(-c2cnc3ccc(-c4ccnc(C(F)(F)F)c4)cn23)cnc1Cl.
What is the InChIKey of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is GNNRQHDJZBRNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N6O2S/c1-29(2)33(31,32)28-15-7-14(9-27-19(15)21)16-10-26-18-4-3-13(11-30(16)18)12-5-6-25-17(8-12)20(22,23)24/h3-11,28H,1-2H3.
What are the key properties of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine?
3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 496.90 g/mol, XLogP of 4.35, 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-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 46913525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).