ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate

C21H21F2N3O2 — CID 118590586

IUPACethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCCCC3c3cc(F)ccc3F)cn12
InChIInChI=1S/C21H21F2N3O2/c1-2-28-21(27)19-12-24-20-9-7-15(13-26(19)20)25-10-4-3-5-18(25)16-11-14(22)6-8-17(16)23/h6-9,11-13,18H,2-5,10H2,1H3
InChIKeyTXQWLJRNDNZTFD-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.52
Rot. Bonds4

About ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 118590586) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID118590586
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Nameethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCCCC3c3cc(F)ccc3F)cn12
InChIInChI=1S/C21H21F2N3O2/c1-2-28-21(27)19-12-24-20-9-7-15(13-26(19)20)25-10-4-3-5-18(25)16-11-14(22)6-8-17(16)23/h6-9,11-13,18H,2-5,10H2,1H3
InChIKeyTXQWLJRNDNZTFD-UHFFFAOYSA-N
XLogP4.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate (CID 118590586) is ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(N3CCCCC3c3cc(F)ccc3F)cn12.
What is the InChIKey of ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is TXQWLJRNDNZTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-2-28-21(27)19-12-24-20-9-7-15(13-26(19)20)25-10-4-3-5-18(25)16-11-14(22)6-8-17(16)23/h6-9,11-13,18H,2-5,10H2,1H3.
What are the key properties of ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 385.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2,5-difluorophenyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 118590586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).