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

C21H18FN5O2 — CID 158474717

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1cccnc1
InChIInChI=1S/C21H18FN5O2/c1-2-29-21(28)16-11-25-20(18-12-24-19-8-6-15(22)13-27(18)19)26-17(16)7-5-14-4-3-9-23-10-14/h3-4,6,8-13H,2,5,7H2,1H3
InChIKeyYPGLHEWWKTUILP-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.29
Rot. Bonds6

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

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate (PubChem CID 158474717) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate
PubChem CID158474717
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1cccnc1
InChIInChI=1S/C21H18FN5O2/c1-2-29-21(28)16-11-25-20(18-12-24-19-8-6-15(22)13-27(18)19)26-17(16)7-5-14-4-3-9-23-10-14/h3-4,6,8-13H,2,5,7H2,1H3
InChIKeyYPGLHEWWKTUILP-UHFFFAOYSA-N
XLogP3.29
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)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
1-[2-(4-fluorophenyl)-3-(2-phenylmethoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 44419899
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
Ethyl 16-fluoro-11-propyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 10155774
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
Ethyl 4-{5-[(2-methylacryloyl)amino]pyridin-3-yl}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599600
(9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2,2-difluoroethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
CID 90068422

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate (CID 158474717) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1CCc1cccnc1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate?
The InChIKey is YPGLHEWWKTUILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-2-29-21(28)16-11-25-20(18-12-24-19-8-6-15(22)13-27(18)19)26-17(16)7-5-14-4-3-9-23-10-14/h3-4,6,8-13H,2,5,7H2,1H3.
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-(2-pyridin-3-ylethyl)pyrimidine-5-carboxylate has a molecular weight of 391.41 g/mol, XLogP of 3.29, 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-pyridin-3-ylethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 158474717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).