ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate

C24H27F2N3O3 — CID 72721502

IUPACethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3nc(C)c(Cc4ccccc4OC(F)F)n3c2)CC1
InChIInChI=1S/C24H27F2N3O3/c1-3-31-23(30)17-10-12-28(13-11-17)19-8-9-22-27-16(2)20(29(22)15-19)14-18-6-4-5-7-21(18)32-24(25)26/h4-9,15,17,24H,3,10-14H2,1-2H3
InChIKeyJSPVPQZLTQCDBC-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.61
Rot. Bonds7

About ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate

ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate (PubChem CID 72721502) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate
PubChem CID72721502
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Nameethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3nc(C)c(Cc4ccccc4OC(F)F)n3c2)CC1
InChIInChI=1S/C24H27F2N3O3/c1-3-31-23(30)17-10-12-28(13-11-17)19-8-9-22-27-16(2)20(29(22)15-19)14-18-6-4-5-7-21(18)32-24(25)26/h4-9,15,17,24H,3,10-14H2,1-2H3
InChIKeyJSPVPQZLTQCDBC-UHFFFAOYSA-N
XLogP4.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate (CID 72721502) is ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc3nc(C)c(Cc4ccccc4OC(F)F)n3c2)CC1.
What is the InChIKey of ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate?
The InChIKey is JSPVPQZLTQCDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-3-31-23(30)17-10-12-28(13-11-17)19-8-9-22-27-16(2)20(29(22)15-19)14-18-6-4-5-7-21(18)32-24(25)26/h4-9,15,17,24H,3,10-14H2,1-2H3.
What are the key properties of ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate?
ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate has a molecular weight of 443.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]piperidine-4-carboxylate is sourced from PubChem (CID 72721502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).