ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate

C21H17F2N5O2 — CID 158286596

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1ccc(F)cn1
InChIInChI=1S/C21H17F2N5O2/c1-2-30-21(29)16-10-26-20(18-11-25-19-8-4-14(23)12-28(18)19)27-17(16)7-6-15-5-3-13(22)9-24-15/h3-5,8-12H,2,6-7H2,1H3
InChIKeyILUWFJWVFLUMRU-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.43
Rot. Bonds6

About ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate (PubChem CID 158286596) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate
PubChem CID158286596
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1ccc(F)cn1
InChIInChI=1S/C21H17F2N5O2/c1-2-30-21(29)16-10-26-20(18-11-25-19-8-4-14(23)12-28(18)19)27-17(16)7-6-15-5-3-13(22)9-24-15/h3-5,8-12H,2,6-7H2,1H3
InChIKeyILUWFJWVFLUMRU-UHFFFAOYSA-N
XLogP3.43
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate with MolForge

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Related Compounds

Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carboxylic acid methyl ester
CID 10454772
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
(9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2,2-difluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
CID 90068422
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299407
Methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299415
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113
ethyl 6-[[2-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]pyridine-3-carboxylate
CID 145972775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate (CID 158286596) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1ccc(F)cn1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate?
The InChIKey is ILUWFJWVFLUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-2-30-21(29)16-10-26-20(18-11-25-19-8-4-14(23)12-28(18)19)27-17(16)7-6-15-5-3-13(22)9-24-15/h3-5,8-12H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate has a molecular weight of 409.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[2-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 158286596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).