2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid

C20H17FN4O2S — CID 140656264

IUPAC2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H17FN4O2S/c1-3-15-18(25-10-13(19(26)27)6-9-17(25)22-15)24(2)20-23-16(11-28-20)12-4-7-14(21)8-5-12/h4-11H,3H2,1-2H3,(H,26,27)
InChIKeyCTTFRQJLAIUENI-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.63
Rot. Bonds5

About 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid

2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 140656264) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID140656264
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H17FN4O2S/c1-3-15-18(25-10-13(19(26)27)6-9-17(25)22-15)24(2)20-23-16(11-28-20)12-4-7-14(21)8-5-12/h4-11H,3H2,1-2H3,(H,26,27)
InChIKeyCTTFRQJLAIUENI-UHFFFAOYSA-N
XLogP4.63
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoic acid
CID 20823956
2-[4-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1482206
3-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 2230831
3-[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 1117205
4-[4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 697299
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614
2-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4091566
2-[2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 90420703
US9670204, 104 methyl2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carboxylate
CID 90420705
US9670204, 239 (2-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-oxazol-4-yl)methanol
CID 117628442
2-[(5,7-Dimethyl-4-hydroimidazo[1,2-a]pyrimidin-2-yl)methylthio]pyridine-3-car boxylic acid
CID 3000168
2-[(6-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4225516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 140656264) is 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid is CCc1nc2ccc(C(=O)O)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is CTTFRQJLAIUENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-3-15-18(25-10-13(19(26)27)6-9-17(25)22-15)24(2)20-23-16(11-28-20)12-4-7-14(21)8-5-12/h4-11H,3H2,1-2H3,(H,26,27).
What are the key properties of 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid?
2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 396.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 140656264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).