tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid

C30H35F5N4O6 — CID 86717982

IUPACtert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC[C@H]3CCCCN3C(=O)OC(C)(C)C)n2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H34F2N4O4.C2HF3O2/c1-17-13-23(37-16-20-21(29)10-8-11-22(20)30)25-32-18(2)24(34(25)15-17)26(35)31-14-19-9-6-7-12-33(19)27(36)38-28(3,4)5;3-2(4,5)1(6)7/h8,10-11,13,15,19H,6-7,9,12,14,16H2,1-5H3,(H,31,35);(H,6,7)/t19-;/m1./s1
InChIKeyNFRIAWWHMRTMCL-FSRHSHDFSA-N
MW642.62 g/mol
LogP5.96
Rot. Bonds6

About tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid

tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 86717982) has the molecular formula C30H35F5N4O6 and a molecular weight of 642.62 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID86717982
Molecular FormulaC30H35F5N4O6
Molecular Weight642.62 g/mol
Exact Mass642.25
IUPAC Nametert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC[C@H]3CCCCN3C(=O)OC(C)(C)C)n2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H34F2N4O4.C2HF3O2/c1-17-13-23(37-16-20-21(29)10-8-11-22(20)30)25-32-18(2)24(34(25)15-17)26(35)31-14-19-9-6-7-12-33(19)27(36)38-28(3,4)5;3-2(4,5)1(6)7/h8,10-11,13,15,19H,6-7,9,12,14,16H2,1-5H3,(H,31,35);(H,6,7)/t19-;/m1./s1
InChIKeyNFRIAWWHMRTMCL-FSRHSHDFSA-N
XLogP5.96
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.62
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate
CID 147590375
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
tert-butyl N-[4-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamate;2,2,2-trifluoroacetic acid
CID 86717905
3-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]propylcarbamic acid;2,2,2-trifluoroacetic acid
CID 90114047
tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 86848385
8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 86724683
[1-[[8-[(2,6-difluorophenyl)methoxy]-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 90232400
1-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]tricyclo[4.3.1.13,8]undecane-4-carboxylic acid
CID 123939665
N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118403400
N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 86724740
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
N-(2-amino-2-methylbutyl)-8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90251291

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid (CID 86717982) is tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC[C@H]3CCCCN3C(=O)OC(C)(C)C)n2c1.O=C(O)C(F)(F)F.
What is the InChIKey of tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is NFRIAWWHMRTMCL-FSRHSHDFSA-N. The full InChI is InChI=1S/C28H34F2N4O4.C2HF3O2/c1-17-13-23(37-16-20-21(29)10-8-11-22(20)30)25-32-18(2)24(34(25)15-17)26(35)31-14-19-9-6-7-12-33(19)27(36)38-28(3,4)5;3-2(4,5)1(6)7/h8,10-11,13,15,19H,6-7,9,12,14,16H2,1-5H3,(H,31,35);(H,6,7)/t19-;/m1./s1.
What are the key properties of tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid?
tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 642.62 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86717982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).