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

C21H18F2N6O2 — CID 77482166

IUPACethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NC(C)c1ccc(F)cn1
InChIInChI=1S/C21H18F2N6O2/c1-3-31-21(30)15-9-26-20(17-10-25-18-7-5-14(23)11-29(17)18)28-19(15)27-12(2)16-6-4-13(22)8-24-16/h4-12H,3H2,1-2H3,(H,26,27,28)
InChIKeyUDKCIEWUGQPQNL-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.81
Rot. Bonds6

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

ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate (PubChem CID 77482166) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate
PubChem CID77482166
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Nameethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NC(C)c1ccc(F)cn1
InChIInChI=1S/C21H18F2N6O2/c1-3-31-21(30)15-9-26-20(17-10-25-18-7-5-14(23)11-29(17)18)28-19(15)27-12(2)16-6-4-13(22)8-24-16/h4-12H,3H2,1-2H3,(H,26,27,28)
InChIKeyUDKCIEWUGQPQNL-UHFFFAOYSA-N
XLogP3.81
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 6-[[2-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]pyridine-3-carboxylate
CID 145972775
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
2-[3-[3-(2,2,2-Trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylic acid
CID 44549026
Ethyl 6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridine-3-carboxylate
CID 58299657
Methyl 2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylate
CID 68169812
Ethyl 4-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylate
CID 68169960
4-Amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylic acid
CID 68169999
US9981944, Example 134
CID 122478479
US9981944, Example 130
CID 122478522
US9981944, Example 123
CID 122478618
US9884868, Example 274C''
CID 122510556

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate (CID 77482166) is ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cnc3ccc(F)cn23)nc1NC(C)c1ccc(F)cn1.
What is the InChIKey of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate?
The InChIKey is UDKCIEWUGQPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-3-31-21(30)15-9-26-20(17-10-25-18-7-5-14(23)11-29(17)18)28-19(15)27-12(2)16-6-4-13(22)8-24-16/h4-12H,3H2,1-2H3,(H,26,27,28).
What are the key properties of ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate?
ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate has a molecular weight of 424.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 77482166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).