ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate

C22H26FN3O3 — CID 46080913

IUPACethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn3c(n2)CCC(c2cccc(F)c2)C3)CC1
InChIInChI=1S/C22H26FN3O3/c1-2-29-22(28)15-8-10-25(11-9-15)21(27)19-14-26-13-17(6-7-20(26)24-19)16-4-3-5-18(23)12-16/h3-5,12,14-15,17H,2,6-11,13H2,1H3
InChIKeyIQEGIMBQGSENFR-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.17
Rot. Bonds4

About ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate

ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate (PubChem CID 46080913) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate
PubChem CID46080913
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Nameethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn3c(n2)CCC(c2cccc(F)c2)C3)CC1
InChIInChI=1S/C22H26FN3O3/c1-2-29-22(28)15-8-10-25(11-9-15)21(27)19-14-26-13-17(6-7-20(26)24-19)16-4-3-5-18(23)12-16/h3-5,12,14-15,17H,2,6-11,13H2,1H3
InChIKeyIQEGIMBQGSENFR-UHFFFAOYSA-N
XLogP3.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

Ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CID 3382936
(1-Methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 72195775
(3-Methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 72195777
methyl {8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
CID 666601
8-[2-(2-fluorophenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155528461
8-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155531112
1,3-dimethyl-8-(2-phenylpropyl)-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155563199
(8-(4-Methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-2-yl)(3-phenylpiperidin-1-yl)methanone
CID 44438573
8-(4-methylpiperazin-1-yl)-N-(2-phenylpropyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 44438576
US9434733, 2-[[3-(4-fluorophenyl)azetidin-1-yl]methyl]-7-tetrahydropyran-4-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 78147345
US9434733, 2-[1-[3-(4-fluorophenyl)azetidin-1-yl]ethyl]-7-tetrahydropyran-4-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 78147658
US9884868, Example 291''
CID 122510425

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate (CID 46080913) is ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cn3c(n2)CCC(c2cccc(F)c2)C3)CC1.
What is the InChIKey of ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is IQEGIMBQGSENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-2-29-22(28)15-8-10-25(11-9-15)21(27)19-14-26-13-17(6-7-20(26)24-19)16-4-3-5-18(23)12-16/h3-5,12,14-15,17H,2,6-11,13H2,1H3.
What are the key properties of ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate?
ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 399.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 46080913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).