4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide

C18H16N6O2S — CID 6539024

IUPAC4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C18H16N6O2S/c1-19-27(25,26)14-7-5-13(6-8-14)22-18-20-10-9-15(23-18)16-12-21-17-4-2-3-11-24(16)17/h2-12,19H,1H3,(H,20,22,23)
InChIKeyDVXQLDHXZVJSHW-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.44
Rot. Bonds5

About 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide

4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 6539024) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
PubChem CID6539024
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C18H16N6O2S/c1-19-27(25,26)14-7-5-13(6-8-14)22-18-20-10-9-15(23-18)16-12-21-17-4-2-3-11-24(16)17/h2-12,19H,1H3,(H,20,22,23)
InChIKeyDVXQLDHXZVJSHW-UHFFFAOYSA-N
XLogP2.44
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide (CID 6539024) is 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1.
What is the InChIKey of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is DVXQLDHXZVJSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-19-27(25,26)14-7-5-13(6-8-14)22-18-20-10-9-15(23-18)16-12-21-17-4-2-3-11-24(16)17/h2-12,19H,1H3,(H,20,22,23).
What are the key properties of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 6539024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).