N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide

C15H17N5O4S — CID 170733433

IUPACN-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2cnc3cc(C)ccn23)nc(OC)c1C
InChIInChI=1S/C15H17N5O4S/c1-9-5-6-20-11(7-9)16-8-12(20)25(21,22)19-15-17-13(23-3)10(2)14(18-15)24-4/h5-8H,1-4H3,(H,17,18,19)
InChIKeyXKJOAMVZHBQKIY-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.56
Rot. Bonds5

About N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide

N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 170733433) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID170733433
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC NameN-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2cnc3cc(C)ccn23)nc(OC)c1C
InChIInChI=1S/C15H17N5O4S/c1-9-5-6-20-11(7-9)16-8-12(20)25(21,22)19-15-17-13(23-3)10(2)14(18-15)24-4/h5-8H,1-4H3,(H,17,18,19)
InChIKeyXKJOAMVZHBQKIY-UHFFFAOYSA-N
XLogP1.56
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide (CID 170733433) is N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide is COc1nc(NS(=O)(=O)c2cnc3cc(C)ccn23)nc(OC)c1C.
What is the InChIKey of N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is XKJOAMVZHBQKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-9-5-6-20-11(7-9)16-8-12(20)25(21,22)19-15-17-13(23-3)10(2)14(18-15)24-4/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide?
N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 363.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-7-methylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 170733433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).