7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide

C18H17BrF2N4O3 — CID 89353191

IUPAC7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(O)CONC(=O)c1cn2ccnc2c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C18H17BrF2N4O3/c1-2-11(26)9-28-24-18(27)12-8-25-6-5-22-17(25)15(21)16(12)23-14-4-3-10(19)7-13(14)20/h3-8,11,23,26H,2,9H2,1H3,(H,24,27)
InChIKeyMSTSMDXADSODLL-UHFFFAOYSA-N
MW455.26 g/mol
LogP3.55
Rot. Bonds7

About 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide

7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 89353191) has the molecular formula C18H17BrF2N4O3 and a molecular weight of 455.26 g/mol. Its IUPAC name is 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID89353191
Molecular FormulaC18H17BrF2N4O3
Molecular Weight455.26 g/mol
Exact Mass454.05
IUPAC Name7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(O)CONC(=O)c1cn2ccnc2c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C18H17BrF2N4O3/c1-2-11(26)9-28-24-18(27)12-8-25-6-5-22-17(25)15(21)16(12)23-14-4-3-10(19)7-13(14)20/h3-8,11,23,26H,2,9H2,1H3,(H,24,27)
InChIKeyMSTSMDXADSODLL-UHFFFAOYSA-N
XLogP3.55
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.26
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165
7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 89353166
7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
CID 89185454
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
CID 87855012
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
N-(4-bromo-2-fluorophenyl)-8-fluoro-6-(1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-7-amine
CID 141113250
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22286269

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide (CID 89353191) is 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide is CCC(O)CONC(=O)c1cn2ccnc2c(F)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MSTSMDXADSODLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N4O3/c1-2-11(26)9-28-24-18(27)12-8-25-6-5-22-17(25)15(21)16(12)23-14-4-3-10(19)7-13(14)20/h3-8,11,23,26H,2,9H2,1H3,(H,24,27).
What are the key properties of 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 455.26 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 89353191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).