5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid

C29H25F2N5O4 — CID 90120303

IUPAC5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCc3ccccc3-c3cc(C(=O)O)nn3C)n2c1
InChIInChI=1S/C29H25F2N5O4/c1-16-11-25(40-15-20-21(30)9-6-10-22(20)31)27-33-17(2)26(36(27)14-16)28(37)32-13-18-7-4-5-8-19(18)24-12-23(29(38)39)34-35(24)3/h4-12,14H,13,15H2,1-3H3,(H,32,37)(H,38,39)
InChIKeyYWBOOMCWLVQJHJ-UHFFFAOYSA-N
MW545.55 g/mol
LogP4.84
Rot. Bonds8

About 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid

5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 90120303) has the molecular formula C29H25F2N5O4 and a molecular weight of 545.55 g/mol. Its IUPAC name is 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID90120303
Molecular FormulaC29H25F2N5O4
Molecular Weight545.55 g/mol
Exact Mass545.19
IUPAC Name5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCc3ccccc3-c3cc(C(=O)O)nn3C)n2c1
InChIInChI=1S/C29H25F2N5O4/c1-16-11-25(40-15-20-21(30)9-6-10-22(20)31)27-33-17(2)26(36(27)14-16)28(37)32-13-18-7-4-5-8-19(18)24-12-23(29(38)39)34-35(24)3/h4-12,14H,13,15H2,1-3H3,(H,32,37)(H,38,39)
InChIKeyYWBOOMCWLVQJHJ-UHFFFAOYSA-N
XLogP4.84
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-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 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid (CID 90120303) is 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCc3ccccc3-c3cc(C(=O)O)nn3C)n2c1.
What is the InChIKey of 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is YWBOOMCWLVQJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O4/c1-16-11-25(40-15-20-21(30)9-6-10-22(20)31)27-33-17(2)26(36(27)14-16)28(37)32-13-18-7-4-5-8-19(18)24-12-23(29(38)39)34-35(24)3/h4-12,14H,13,15H2,1-3H3,(H,32,37)(H,38,39).
What are the key properties of 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid?
5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 545.55 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]phenyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 90120303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).