8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane

C39H53Cl3N6O6 — CID 167682392

IUPAC8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane
SMILESC.CC.CCC(=O)CC(C)=O.CCOC(=O)c1c(CC)nc2c(Cl)c(C)ccn12.CCc1nc2c(Cl)c(C)ccn2c1C(=O)O.Cc1ccnc(N)c1Cl
InChIInChI=1S/C13H15ClN2O2.C11H11ClN2O2.C6H7ClN2.C6H10O2.C2H6.CH4/c1-4-9-11(13(17)18-5-2)16-7-6-8(3)10(14)12(16)15-9;1-3-7-9(11(15)16)14-5-4-6(2)8(12)10(14)13-7;1-4-2-3-9-6(8)5(4)7;1-3-6(8)4-5(2)7;1-2;/h6-7H,4-5H2,1-3H3;4-5H,3H2,1-2H3,(H,15,16);2-3H,1H3,(H2,8,9);3-4H2,1-2H3;1-2H3;1H4
InChIKeyVSOSBCDYPMQYBW-UHFFFAOYSA-N
MW808.25 g/mol
LogP9.82
Rot. Bonds8

About 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane

8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane (PubChem CID 167682392) has the molecular formula C39H53Cl3N6O6 and a molecular weight of 808.25 g/mol. Its IUPAC name is 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane.

Molecular Properties

Compound Name8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane
PubChem CID167682392
Molecular FormulaC39H53Cl3N6O6
Molecular Weight808.25 g/mol
Exact Mass806.31
IUPAC Name8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane
SMILESC.CC.CCC(=O)CC(C)=O.CCOC(=O)c1c(CC)nc2c(Cl)c(C)ccn12.CCc1nc2c(Cl)c(C)ccn2c1C(=O)O.Cc1ccnc(N)c1Cl
InChIInChI=1S/C13H15ClN2O2.C11H11ClN2O2.C6H7ClN2.C6H10O2.C2H6.CH4/c1-4-9-11(13(17)18-5-2)16-7-6-8(3)10(14)12(16)15-9;1-3-7-9(11(15)16)14-5-4-6(2)8(12)10(14)13-7;1-4-2-3-9-6(8)5(4)7;1-3-6(8)4-5(2)7;1-2;/h6-7H,4-5H2,1-3H3;4-5H,3H2,1-2H3,(H,15,16);2-3H,1H3,(H2,8,9);3-4H2,1-2H3;1-2H3;1H4
InChIKeyVSOSBCDYPMQYBW-UHFFFAOYSA-N
XLogP9.82
TPSA171.25 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.25
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane with MolForge

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Related Compounds

cyclopentyl 7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 90656304
8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;3-chloro-5-(trifluoromethyl)pyridin-2-amine;ethyl 3-bromo-2-oxopropanoate;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 161334679
Ethyl 6-(2-chloro-4-pyridinyl)-8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164945400
Tert-butyl 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 139192063
Ethyl 6-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 15675433
Ethyl 2-[4-[(2-n-butyl-4-chloro-5-ethoxycarbonyl-imidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 19752333
Ethyl 3-[2-(4-morpholinyl)-4-pyridinyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 68504648
Methyl 3-methyl-7-[2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)oxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 146701144
Ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 156160137
Lithium;ethyl 7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane;hydroxide
CID 157192718
Ethyl 7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylate;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane
CID 157258502
Ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate;methyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 157389641

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane?
The IUPAC name of 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane (CID 167682392) is 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane.
What is the SMILES notation for 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane?
The canonical SMILES for 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane is C.CC.CCC(=O)CC(C)=O.CCOC(=O)c1c(CC)nc2c(Cl)c(C)ccn12.CCc1nc2c(Cl)c(C)ccn2c1C(=O)O.Cc1ccnc(N)c1Cl.
What is the InChIKey of 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane?
The InChIKey is VSOSBCDYPMQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2.C11H11ClN2O2.C6H7ClN2.C6H10O2.C2H6.CH4/c1-4-9-11(13(17)18-5-2)16-7-6-8(3)10(14)12(16)15-9;1-3-7-9(11(15)16)14-5-4-6(2)8(12)10(14)13-7;1-4-2-3-9-6(8)5(4)7;1-3-6(8)4-5(2)7;1-2;/h6-7H,4-5H2,1-3H3;4-5H,3H2,1-2H3,(H,15,16);2-3H,1H3,(H2,8,9);3-4H2,1-2H3;1-2H3;1H4.
What are the key properties of 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane?
8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane has a molecular weight of 808.25 g/mol, XLogP of 9.82, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;3-chloro-4-methylpyridin-2-amine;ethane;ethyl 8-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;hexane-2,4-dione;methane is sourced from PubChem (CID 167682392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).