3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine

C20H19ClN6O2S — CID 46913618

IUPAC3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCc1cc2ncc(-c3cnc(Cl)c(NS(=O)(=O)N(C)C)c3)n2cc1-c1ccncc1
InChIInChI=1S/C20H19ClN6O2S/c1-13-8-19-23-11-18(27(19)12-16(13)14-4-6-22-7-5-14)15-9-17(20(21)24-10-15)25-30(28,29)26(2)3/h4-12,25H,1-3H3
InChIKeyPZGUSGCXFPCTIJ-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.64
Rot. Bonds5

About 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine

3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine (PubChem CID 46913618) has the molecular formula C20H19ClN6O2S and a molecular weight of 442.93 g/mol. Its IUPAC name is 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine
PubChem CID46913618
Molecular FormulaC20H19ClN6O2S
Molecular Weight442.93 g/mol
Exact Mass442.10
IUPAC Name3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine
SMILESCc1cc2ncc(-c3cnc(Cl)c(NS(=O)(=O)N(C)C)c3)n2cc1-c1ccncc1
InChIInChI=1S/C20H19ClN6O2S/c1-13-8-19-23-11-18(27(19)12-16(13)14-4-6-22-7-5-14)15-9-17(20(21)24-10-15)25-30(28,29)26(2)3/h4-12,25H,1-3H3
InChIKeyPZGUSGCXFPCTIJ-UHFFFAOYSA-N
XLogP3.64
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.64
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-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine (CID 46913618) is 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine is Cc1cc2ncc(-c3cnc(Cl)c(NS(=O)(=O)N(C)C)c3)n2cc1-c1ccncc1.
What is the InChIKey of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine?
The InChIKey is PZGUSGCXFPCTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2S/c1-13-8-19-23-11-18(27(19)12-16(13)14-4-6-22-7-5-14)15-9-17(20(21)24-10-15)25-30(28,29)26(2)3/h4-12,25H,1-3H3.
What are the key properties of 3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine?
3-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]-7-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine has a molecular weight of 442.93 g/mol, XLogP of 3.64, 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-methyl-6-pyridin-4-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46913618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).