2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

C24H21F2N3O3S — CID 175046405

IUPAC2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(-c4cccs4)cc3F)nc2c1
InChIInChI=1S/C24H21F2N3O3S/c1-14-4-5-29-19(12-16-13-28(24(30)31)6-7-32-16)23(27-21(29)9-14)22-17(25)10-15(11-18(22)26)20-3-2-8-33-20/h2-5,8-11,16H,6-7,12-13H2,1H3,(H,30,31)
InChIKeyVDVXUOFYHURPMV-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.24
Rot. Bonds4

About 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (PubChem CID 175046405) has the molecular formula C24H21F2N3O3S and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
PubChem CID175046405
Molecular FormulaC24H21F2N3O3S
Molecular Weight469.51 g/mol
Exact Mass469.13
IUPAC Name2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(-c4cccs4)cc3F)nc2c1
InChIInChI=1S/C24H21F2N3O3S/c1-14-4-5-29-19(12-16-13-28(24(30)31)6-7-32-16)23(27-21(29)9-14)22-17(25)10-15(11-18(22)26)20-3-2-8-33-20/h2-5,8-11,16H,6-7,12-13H2,1H3,(H,30,31)
InChIKeyVDVXUOFYHURPMV-UHFFFAOYSA-N
XLogP5.24
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (CID 175046405) is 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is Cc1ccn2c(CC3CN(C(=O)O)CCO3)c(-c3c(F)cc(-c4cccs4)cc3F)nc2c1.
What is the InChIKey of 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
The InChIKey is VDVXUOFYHURPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3S/c1-14-4-5-29-19(12-16-13-28(24(30)31)6-7-32-16)23(27-21(29)9-14)22-17(25)10-15(11-18(22)26)20-3-2-8-33-20/h2-5,8-11,16H,6-7,12-13H2,1H3,(H,30,31).
What are the key properties of 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?
2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid has a molecular weight of 469.51 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-difluoro-4-thiophen-2-ylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 175046405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).