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

C23H20FN5O3S — CID 90420703

IUPAC2-[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
SMILESCCc1nc2ccc(C3=NC(C(=O)O)CO3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H20FN5O3S/c1-3-16-21(28(2)23-27-18(12-33-23)13-4-7-15(24)8-5-13)29-10-14(6-9-19(29)25-16)20-26-17(11-32-20)22(30)31/h4-10,12,17H,3,11H2,1-2H3,(H,30,31)
InChIKeyNCJVTTSJRYXBPZ-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.16
Rot. Bonds6

About 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

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 (PubChem CID 90420703) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID90420703
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Name2-[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
SMILESCCc1nc2ccc(C3=NC(C(=O)O)CO3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H20FN5O3S/c1-3-16-21(28(2)23-27-18(12-33-23)13-4-7-15(24)8-5-13)29-10-14(6-9-19(29)25-16)20-26-17(11-32-20)22(30)31/h4-10,12,17H,3,11H2,1-2H3,(H,30,31)
InChIKeyNCJVTTSJRYXBPZ-UHFFFAOYSA-N
XLogP4.16
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2ccc(C3=NC(C(=O)O)CO3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 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?
The InChIKey is NCJVTTSJRYXBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-3-16-21(28(2)23-27-18(12-33-23)13-4-7-15(24)8-5-13)29-10-14(6-9-19(29)25-16)20-26-17(11-32-20)22(30)31/h4-10,12,17H,3,11H2,1-2H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 465.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90420703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).