7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide

C19H20BrFN4O3 — CID 89353166

IUPAC7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(C(=O)NOC(C)(C)CO)cn2ccnc12
InChIInChI=1S/C19H20BrFN4O3/c1-11-16(23-15-5-4-12(20)8-14(15)21)13(9-25-7-6-22-17(11)25)18(27)24-28-19(2,3)10-26/h4-9,23,26H,10H2,1-3H3,(H,24,27)
InChIKeyAYJDXFDLXOEKMC-UHFFFAOYSA-N
MW451.30 g/mol
LogP3.72
Rot. Bonds6

About 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide

7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 89353166) has the molecular formula C19H20BrFN4O3 and a molecular weight of 451.30 g/mol. Its IUPAC name is 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID89353166
Molecular FormulaC19H20BrFN4O3
Molecular Weight451.30 g/mol
Exact Mass450.07
IUPAC Name7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(C(=O)NOC(C)(C)CO)cn2ccnc12
InChIInChI=1S/C19H20BrFN4O3/c1-11-16(23-15-5-4-12(20)8-14(15)21)13(9-25-7-6-22-17(11)25)18(27)24-28-19(2,3)10-26/h4-9,23,26H,10H2,1-3H3,(H,24,27)
InChIKeyAYJDXFDLXOEKMC-UHFFFAOYSA-N
XLogP3.72
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 53.72
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-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
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
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
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)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
N-(4-bromo-2-fluorophenyl)-8-fluoro-6-(1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-7-amine
CID 141113250
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)oxybenzamide
CID 10166959

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 89353166) is 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide is Cc1c(Nc2ccc(Br)cc2F)c(C(=O)NOC(C)(C)CO)cn2ccnc12.
What is the InChIKey of 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AYJDXFDLXOEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN4O3/c1-11-16(23-15-5-4-12(20)8-14(15)21)13(9-25-7-6-22-17(11)25)18(27)24-28-19(2,3)10-26/h4-9,23,26H,10H2,1-3H3,(H,24,27).
What are the key properties of 7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide?
7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 451.30 g/mol, XLogP of 3.72, 6 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)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 89353166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).