6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine

C19H15BrF2N4S — CID 90420319

IUPAC6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCc1nc2c(F)cc(Br)cn2c1NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H15BrF2N4S/c1-2-15-19(26-9-12(20)7-14(22)18(26)25-15)23-8-17-24-16(10-27-17)11-3-5-13(21)6-4-11/h3-7,9-10,23H,2,8H2,1H3
InChIKeyWLURYLQGGCCTCE-UHFFFAOYSA-N
MW449.32 g/mol
LogP5.67
Rot. Bonds5

About 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine

6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 90420319) has the molecular formula C19H15BrF2N4S and a molecular weight of 449.32 g/mol. Its IUPAC name is 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID90420319
Molecular FormulaC19H15BrF2N4S
Molecular Weight449.32 g/mol
Exact Mass448.02
IUPAC Name6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCc1nc2c(F)cc(Br)cn2c1NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H15BrF2N4S/c1-2-15-19(26-9-12(20)7-14(22)18(26)25-15)23-8-17-24-16(10-27-17)11-3-5-13(21)6-4-11/h3-7,9-10,23H,2,8H2,1H3
InChIKeyWLURYLQGGCCTCE-UHFFFAOYSA-N
XLogP5.67
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.32
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine (CID 90420319) is 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine is CCc1nc2c(F)cc(Br)cn2c1NCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is WLURYLQGGCCTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2N4S/c1-2-15-19(26-9-12(20)7-14(22)18(26)25-15)23-8-17-24-16(10-27-17)11-3-5-13(21)6-4-11/h3-7,9-10,23H,2,8H2,1H3.
What are the key properties of 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 449.32 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-8-fluoro-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 90420319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).