6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid

C27H27F2N5O4 — CID 129068647

IUPAC6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid
SMILESCCc1ccc(C(N)CNC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)nc1C(=O)O
InChIInChI=1S/C27H27F2N5O4/c1-4-16-8-9-21(33-23(16)27(36)37)20(30)11-31-26(35)24-15(3)32-25-22(10-14(2)12-34(24)25)38-13-17-18(28)6-5-7-19(17)29/h5-10,12,20H,4,11,13,30H2,1-3H3,(H,31,35)(H,36,37)
InChIKeyVQUQMIGUFGFKSX-UHFFFAOYSA-N
MW523.54 g/mol
LogP3.89
Rot. Bonds9

About 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid

6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid (PubChem CID 129068647) has the molecular formula C27H27F2N5O4 and a molecular weight of 523.54 g/mol. Its IUPAC name is 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid
PubChem CID129068647
Molecular FormulaC27H27F2N5O4
Molecular Weight523.54 g/mol
Exact Mass523.20
IUPAC Name6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid
SMILESCCc1ccc(C(N)CNC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)nc1C(=O)O
InChIInChI=1S/C27H27F2N5O4/c1-4-16-8-9-21(33-23(16)27(36)37)20(30)11-31-26(35)24-15(3)32-25-22(10-14(2)12-34(24)25)38-13-17-18(28)6-5-7-19(17)29/h5-10,12,20H,4,11,13,30H2,1-3H3,(H,31,35)(H,36,37)
InChIKeyVQUQMIGUFGFKSX-UHFFFAOYSA-N
XLogP3.89
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-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 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid?
The IUPAC name of 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid (CID 129068647) is 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid is CCc1ccc(C(N)CNC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)nc1C(=O)O.
What is the InChIKey of 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid?
The InChIKey is VQUQMIGUFGFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O4/c1-4-16-8-9-21(33-23(16)27(36)37)20(30)11-31-26(35)24-15(3)32-25-22(10-14(2)12-34(24)25)38-13-17-18(28)6-5-7-19(17)29/h5-10,12,20H,4,11,13,30H2,1-3H3,(H,31,35)(H,36,37).
What are the key properties of 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid?
6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid has a molecular weight of 523.54 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]-3-ethylpyridine-2-carboxylic acid is sourced from PubChem (CID 129068647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).