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

C14H13BrClN5O2S — CID 86663322

IUPAC7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl
InChIInChI=1S/C14H13BrClN5O2S/c1-20(2)24(22,23)19-11-5-9(7-18-14(11)16)12-8-17-13-6-10(15)3-4-21(12)13/h3-8,19H,1-2H3
InChIKeyCNQUTKLQVFPWQU-UHFFFAOYSA-N
MW430.72 g/mol
LogP3.03
Rot. Bonds4

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

7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 86663322) has the molecular formula C14H13BrClN5O2S and a molecular weight of 430.72 g/mol. Its IUPAC name is 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID86663322
Molecular FormulaC14H13BrClN5O2S
Molecular Weight430.72 g/mol
Exact Mass428.97
IUPAC Name7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl
InChIInChI=1S/C14H13BrClN5O2S/c1-20(2)24(22,23)19-11-5-9(7-18-14(11)16)12-8-17-13-6-10(15)3-4-21(12)13/h3-8,19H,1-2H3
InChIKeyCNQUTKLQVFPWQU-UHFFFAOYSA-N
XLogP3.03
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine (CID 86663322) is 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine is CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(Br)ccn23)cnc1Cl.
What is the InChIKey of 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is CNQUTKLQVFPWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN5O2S/c1-20(2)24(22,23)19-11-5-9(7-18-14(11)16)12-8-17-13-6-10(15)3-4-21(12)13/h3-8,19H,1-2H3.
What are the key properties of 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine?
7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 430.72 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 86663322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).