tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate

C31H33F2N3O5 — CID 149224183

IUPACtert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CCC(=O)OC(C)(C)C)COc1ccccc1
InChIInChI=1S/C31H33F2N3O5/c1-20-28(36-17-9-14-26(29(36)34-20)40-19-23-24(32)12-8-13-25(23)33)30(38)35-21(15-16-27(37)41-31(2,3)4)18-39-22-10-6-5-7-11-22/h5-14,17,21H,15-16,18-19H2,1-4H3,(H,35,38)
InChIKeyXJAJLCGAGPSMRS-UHFFFAOYSA-N
MW565.62 g/mol
LogP5.80
Rot. Bonds11

About tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate

tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate (PubChem CID 149224183) has the molecular formula C31H33F2N3O5 and a molecular weight of 565.62 g/mol. Its IUPAC name is tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate.

Molecular Properties

Compound Nametert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate
PubChem CID149224183
Molecular FormulaC31H33F2N3O5
Molecular Weight565.62 g/mol
Exact Mass565.24
IUPAC Nametert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CCC(=O)OC(C)(C)C)COc1ccccc1
InChIInChI=1S/C31H33F2N3O5/c1-20-28(36-17-9-14-26(29(36)34-20)40-19-23-24(32)12-8-13-25(23)33)30(38)35-21(15-16-27(37)41-31(2,3)4)18-39-22-10-6-5-7-11-22/h5-14,17,21H,15-16,18-19H2,1-4H3,(H,35,38)
InChIKeyXJAJLCGAGPSMRS-UHFFFAOYSA-N
XLogP5.80
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate with MolForge

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

Launch Full Analysis

Related Compounds

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115945
benzyl N-[3-(3,4-difluorophenoxy)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]carbamate
CID 90135978
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
CID 90116507
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115184
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 90115632
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90115694
N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 118389643
8-[(2,6-difluorophenyl)methoxy]-N-[(2R)-6-hydroxyhexan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724642
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxy-2-methylbutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 129268093
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90091301
8-[(2,6-difluorophenyl)methoxy]-N-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid
CID 90091308

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate?
The IUPAC name of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate (CID 149224183) is tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate.
What is the SMILES notation for tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate?
The canonical SMILES for tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CCC(=O)OC(C)(C)C)COc1ccccc1.
What is the InChIKey of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate?
The InChIKey is XJAJLCGAGPSMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F2N3O5/c1-20-28(36-17-9-14-26(29(36)34-20)40-19-23-24(32)12-8-13-25(23)33)30(38)35-21(15-16-27(37)41-31(2,3)4)18-39-22-10-6-5-7-11-22/h5-14,17,21H,15-16,18-19H2,1-4H3,(H,35,38).
What are the key properties of tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate?
tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate has a molecular weight of 565.62 g/mol, XLogP of 5.80, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5-phenoxypentanoate is sourced from PubChem (CID 149224183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).