(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid

C21H18F5N3O4 — CID 90116507

IUPAC(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C21H18F5N3O4/c1-11-17(19(30)28-15(20(31)32)7-8-21(24,25)26)29-9-3-6-16(18(29)27-11)33-10-12-13(22)4-2-5-14(12)23/h2-6,9,15H,7-8,10H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1
InChIKeyCDCKZVOBGINFMQ-HNNXBMFYSA-N
MW471.38 g/mol
LogP4.03
Rot. Bonds8

About (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid

(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid (PubChem CID 90116507) has the molecular formula C21H18F5N3O4 and a molecular weight of 471.38 g/mol. Its IUPAC name is (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
PubChem CID90116507
Molecular FormulaC21H18F5N3O4
Molecular Weight471.38 g/mol
Exact Mass471.12
IUPAC Name(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C21H18F5N3O4/c1-11-17(19(30)28-15(20(31)32)7-8-21(24,25)26)29-9-3-6-16(18(29)27-11)33-10-12-13(22)4-2-5-14(12)23/h2-6,9,15H,7-8,10H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1
InChIKeyCDCKZVOBGINFMQ-HNNXBMFYSA-N
XLogP4.03
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid with MolForge

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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
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
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]-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-(3-hydroxybutyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90135188
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
[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 90114133
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
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
3-[(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propyl]benzoic acid
CID 90091308
N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 118389643

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid?
The IUPAC name of (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid (CID 90116507) is (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid?
The canonical SMILES for (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid?
The InChIKey is CDCKZVOBGINFMQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18F5N3O4/c1-11-17(19(30)28-15(20(31)32)7-8-21(24,25)26)29-9-3-6-16(18(29)27-11)33-10-12-13(22)4-2-5-14(12)23/h2-6,9,15H,7-8,10H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1.
What are the key properties of (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid?
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid has a molecular weight of 471.38 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 90116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).