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

C18H17BrCl2N4O3 — CID 89353165

IUPAC7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(O)CONC(=O)c1cn2ccnc2c(Cl)c1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H17BrCl2N4O3/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)
InChIKeyATXAKMONIWBPPO-UHFFFAOYSA-N
MW488.17 g/mol
LogP4.58
Rot. Bonds7

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

7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 89353165) has the molecular formula C18H17BrCl2N4O3 and a molecular weight of 488.17 g/mol. Its IUPAC name is 7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID89353165
Molecular FormulaC18H17BrCl2N4O3
Molecular Weight488.17 g/mol
Exact Mass485.99
IUPAC Name7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(O)CONC(=O)c1cn2ccnc2c(Cl)c1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H17BrCl2N4O3/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)
InChIKeyATXAKMONIWBPPO-UHFFFAOYSA-N
XLogP4.58
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.17
LogP ≤ 54.58
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
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
CID 163986010
CID 163986010
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 11685443
7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 89353166
methyl 3-bromo-7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxylate
CID 58886649
7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760536
6-(4-bromo-2-chloroanilino)-7-chloro-N-(2-ethenoxyethoxy)-3-methylbenzimidazole-5-carboxamide
CID 86599018
CID 87592869
CID 87592869
7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
CID 89185454

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide (CID 89353165) is 7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide is CCC(O)CONC(=O)c1cn2ccnc2c(Cl)c1Nc1ccc(Br)cc1Cl.
What is the InChIKey of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ATXAKMONIWBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N4O3/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-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide?
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 488.17 g/mol, XLogP of 4.58, 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-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 89353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).