3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C24H15F3N6O4S — CID 154957923

IUPAC3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(C(=O)O)ccn23)n1
InChIInChI=1S/C24H15F3N6O4S/c25-14-4-2-5-15(26)22(14)38(36,37)32-16-6-1-3-13(19(16)27)20-21(17-7-9-29-24(28)30-17)33-10-8-12(23(34)35)11-18(33)31-20/h1-11,32H,(H,34,35)(H2,28,29,30)
InChIKeyLUNOUDRMPQFXOS-UHFFFAOYSA-N
MW540.48 g/mol
LogP3.96
Rot. Bonds6

About 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 154957923) has the molecular formula C24H15F3N6O4S and a molecular weight of 540.48 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID154957923
Molecular FormulaC24H15F3N6O4S
Molecular Weight540.48 g/mol
Exact Mass540.08
IUPAC Name3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(C(=O)O)ccn23)n1
InChIInChI=1S/C24H15F3N6O4S/c25-14-4-2-5-15(26)22(14)38(36,37)32-16-6-1-3-13(19(16)27)20-21(17-7-9-29-24(28)30-17)33-10-8-12(23(34)35)11-18(33)31-20/h1-11,32H,(H,34,35)(H2,28,29,30)
InChIKeyLUNOUDRMPQFXOS-UHFFFAOYSA-N
XLogP3.96
TPSA152.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.48
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 154957923) is 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(C(=O)O)ccn23)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is LUNOUDRMPQFXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O4S/c25-14-4-2-5-15(26)22(14)38(36,37)32-16-6-1-3-13(19(16)27)20-21(17-7-9-29-24(28)30-17)33-10-8-12(23(34)35)11-18(33)31-20/h1-11,32H,(H,34,35)(H2,28,29,30).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 540.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 154957923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).