7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate

C45H54Br2N16O7 — CID 158206061

IUPAC7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCNC(=O)Nc1cn2c(C(=O)NCC)cc(-c3cnc(N(C)C)nc3)cc2n1.CCNC(=O)Nc1cn2c(C(=O)NCC)cc(Br)cc2n1.CCNC(=O)c1cc(Br)cc2nc(C(=O)OCC)cn12
InChIInChI=1S/C19H24N8O2.C13H16BrN5O2.C13H14BrN3O3/c1-5-20-17(28)14-7-12(13-9-22-18(23-10-13)26(3)4)8-16-24-15(11-27(14)16)25-19(29)21-6-2;1-3-15-12(20)9-5-8(14)6-11-17-10(7-19(9)11)18-13(21)16-4-2;1-3-15-12(18)10-5-8(14)6-11-16-9(7-17(10)11)13(19)20-4-2/h7-11H,5-6H2,1-4H3,(H,20,28)(H2,21,25,29);5-7H,3-4H2,1-2H3,(H,15,20)(H2,16,18,21);5-7H,3-4H2,1-2H3,(H,15,18)
InChIKeyGBMWVASONBITAR-UHFFFAOYSA-N
MW1090.84 g/mol
LogP5.76
Rot. Bonds14

About 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate

7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 158206061) has the molecular formula C45H54Br2N16O7 and a molecular weight of 1090.84 g/mol. Its IUPAC name is 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID158206061
Molecular FormulaC45H54Br2N16O7
Molecular Weight1090.84 g/mol
Exact Mass1088.27
IUPAC Name7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCNC(=O)Nc1cn2c(C(=O)NCC)cc(-c3cnc(N(C)C)nc3)cc2n1.CCNC(=O)Nc1cn2c(C(=O)NCC)cc(Br)cc2n1.CCNC(=O)c1cc(Br)cc2nc(C(=O)OCC)cn12
InChIInChI=1S/C19H24N8O2.C13H16BrN5O2.C13H14BrN3O3/c1-5-20-17(28)14-7-12(13-9-22-18(23-10-13)26(3)4)8-16-24-15(11-27(14)16)25-19(29)21-6-2;1-3-15-12(20)9-5-8(14)6-11-17-10(7-19(9)11)18-13(21)16-4-2;1-3-15-12(18)10-5-8(14)6-11-16-9(7-17(10)11)13(19)20-4-2/h7-11H,5-6H2,1-4H3,(H,20,28)(H2,21,25,29);5-7H,3-4H2,1-2H3,(H,15,20)(H2,16,18,21);5-7H,3-4H2,1-2H3,(H,15,18)
InChIKeyGBMWVASONBITAR-UHFFFAOYSA-N
XLogP5.76
TPSA276.78 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001090.84
LogP ≤ 55.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

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Related Compounds

sodium;2-amino-1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl imidazo[1,2-a]pyridine-2-carboxylate;N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]imidazo[1,2-a]pyridine-2-carboxamide;imidazo[1,2-a]pyridine-2-carboxylic acid;pyridin-2-amine;hydroxide;hydrochloride
CID 161533573
lithium;amino(hydroxy)azanide;but-3-en-2-one;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-oxobut-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 157303142
3-bromo-6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-N,N-dimethylimidazo[1,2-a]pyridine-3-carboxamide;6-tert-butylimidazo[1,2-a]pyridine;tris(1-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone);6-tert-butyl-N-methylimidazo[1,2-a]pyridine-3-carboxamide;ethyl 6-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 157424250
lithium;amino(hydroxy)azanide;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-isocyanoethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-isocyanoethyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(2-isocyanoethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;prop-2-enenitrile
CID 157855723
6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-bromoimidazo[1,2-a]pyridin-3-yl)-4-morpholin-4-ylbutan-1-one;6-[2-(6-methyl-2-pyridinyl)phenyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide;2-morpholin-4-ylethanamine
CID 158850832
6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
CID 159170425
lithium;amino(hydroxy)azanide;but-3-en-2-one;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-3-oxobut-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;6-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 159282759
lithium;amino(hydroxy)azanide;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-isocyanoethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-isocyanoethyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(2-isocyanoethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;prop-2-enenitrile
CID 159757537
7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate;methane
CID 159826331
6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-cyclopropylethanone;cyclopropanamine;N-cyclopropyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 160650180
lithium;amino(hydroxy)azanide;but-3-en-2-one;ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 7-[(E)-3-oxobut-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;bis(ethyl 7-(3-oxobutyl)imidazo[1,2-a]pyridine-3-carboxylate)
CID 160806088
Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 160899856

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 158206061) is 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate is CCNC(=O)Nc1cn2c(C(=O)NCC)cc(-c3cnc(N(C)C)nc3)cc2n1.CCNC(=O)Nc1cn2c(C(=O)NCC)cc(Br)cc2n1.CCNC(=O)c1cc(Br)cc2nc(C(=O)OCC)cn12.
What is the InChIKey of 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is GBMWVASONBITAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2.C13H16BrN5O2.C13H14BrN3O3/c1-5-20-17(28)14-7-12(13-9-22-18(23-10-13)26(3)4)8-16-24-15(11-27(14)16)25-19(29)21-6-2;1-3-15-12(20)9-5-8(14)6-11-17-10(7-19(9)11)18-13(21)16-4-2;1-3-15-12(18)10-5-8(14)6-11-16-9(7-17(10)11)13(19)20-4-2/h7-11H,5-6H2,1-4H3,(H,20,28)(H2,21,25,29);5-7H,3-4H2,1-2H3,(H,15,20)(H2,16,18,21);5-7H,3-4H2,1-2H3,(H,15,18).
What are the key properties of 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?
7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 1090.84 g/mol, XLogP of 5.76, 14 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;7-[2-(dimethylamino)pyrimidin-5-yl]-N-ethyl-2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-5-carboxamide;ethyl 7-bromo-5-(ethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 158206061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).