tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate

C23H27F2N3O3 — CID 171401150

IUPACtert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)c1cccc(-c2cc(OC(F)F)c3nccn3c2)c1
InChIInChI=1S/C23H27F2N3O3/c1-6-28(22(29)31-23(3,4)5)15(2)16-8-7-9-17(12-16)18-13-19(30-21(24)25)20-26-10-11-27(20)14-18/h7-15,21H,6H2,1-5H3/t15-/m1/s1
InChIKeyDPAFSEACDOQFIJ-OAHLLOKOSA-N
MW431.48 g/mol
LogP5.92
Rot. Bonds6

About tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate

tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate (PubChem CID 171401150) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate
PubChem CID171401150
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Nametert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H](C)c1cccc(-c2cc(OC(F)F)c3nccn3c2)c1
InChIInChI=1S/C23H27F2N3O3/c1-6-28(22(29)31-23(3,4)5)15(2)16-8-7-9-17(12-16)18-13-19(30-21(24)25)20-26-10-11-27(20)14-18/h7-15,21H,6H2,1-5H3/t15-/m1/s1
InChIKeyDPAFSEACDOQFIJ-OAHLLOKOSA-N
XLogP5.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate (CID 171401150) is tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)[C@H](C)c1cccc(-c2cc(OC(F)F)c3nccn3c2)c1.
What is the InChIKey of tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate?
The InChIKey is DPAFSEACDOQFIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-6-28(22(29)31-23(3,4)5)15(2)16-8-7-9-17(12-16)18-13-19(30-21(24)25)20-26-10-11-27(20)14-18/h7-15,21H,6H2,1-5H3/t15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate?
tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate has a molecular weight of 431.48 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[3-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]phenyl]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 171401150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).