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

C28H32ClF5N4O6 — CID 86717905

IUPACtert-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
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C26H31ClF2N4O4.C2HF3O2/c1-15-21(23(34)30-11-10-26(5,6)32-24(35)37-25(2,3)4)33-13-16(27)12-20(22(33)31-15)36-14-17-18(28)8-7-9-19(17)29;3-2(4,5)1(6)7/h7-9,12-13H,10-11,14H2,1-6H3,(H,30,34)(H,32,35);(H,6,7)
InChIKeyZXBPXVYKZKYRHC-UHFFFAOYSA-N
MW651.03 g/mol
LogP6.21
Rot. Bonds8

About 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

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 (PubChem CID 86717905) has the molecular formula C28H32ClF5N4O6 and a molecular weight of 651.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID86717905
Molecular FormulaC28H32ClF5N4O6
Molecular Weight651.03 g/mol
Exact Mass650.19
IUPAC Nametert-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
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C26H31ClF2N4O4.C2HF3O2/c1-15-21(23(34)30-11-10-26(5,6)32-24(35)37-25(2,3)4)33-13-16(27)12-20(22(33)31-15)36-14-17-18(28)8-7-9-19(17)29;3-2(4,5)1(6)7/h7-9,12-13H,10-11,14H2,1-6H3,(H,30,34)(H,32,35);(H,6,7)
InChIKeyZXBPXVYKZKYRHC-UHFFFAOYSA-N
XLogP6.21
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.03
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
CID 86717906
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 N-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-ethoxypropyl]carbamate
CID 90136017
[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 90114028
tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid
CID 129068696
N-(2-amino-3-fluoro-2-methylpropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 118493182
tert-butyl 4-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylpentanoate
CID 147590375
[1-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]carbamic acid
CID 90114029
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 90232485
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
tert-butyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]oxypropan-2-yl]carbamate
CID 118402058
[1-[[8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-fluoro-2-methylpropan-2-yl]carbamic acid
CID 118389641

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is ZXBPXVYKZKYRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClF2N4O4.C2HF3O2/c1-15-21(23(34)30-11-10-26(5,6)32-24(35)37-25(2,3)4)33-13-16(27)12-20(22(33)31-15)36-14-17-18(28)8-7-9-19(17)29;3-2(4,5)1(6)7/h7-9,12-13H,10-11,14H2,1-6H3,(H,30,34)(H,32,35);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 651.03 g/mol, XLogP of 6.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 86717905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).