[6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide

C118H86Br6Cl7F4N17O13 — CID 158287185

IUPAC[6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide
SMILESBr.COC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1.COC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1.OCc1c(-c2ccc(Cl)cc2Cl)nc2ccc(Cl)cn12.OCc1c(-c2ccc(F)c(Cl)c2)nc2ccc(Br)cn12.OCc1c(-c2ccc(F)c(Cl)c2)nc2ccc(Cl)cn12.OCc1c(-c2ccc(F)c(F)c2)nc2ccc(Br)cn12.OCc1ccn2c(CO)c(-c3ccc(Br)cc3)nc2c1.[C-]#[N+]c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1
InChIInChI=1S/2C16H13BrN2O3.C15H13BrN2O2.C15H10ClN3O.C14H9BrClFN2O.C14H9BrF2N2O.C14H9Cl3N2O.C14H9Cl2FN2O.BrH/c2*1-22-16(21)11-4-7-14-18-15(13(9-20)19(14)8-11)10-2-5-12(17)6-3-10;16-12-3-1-11(2-4-12)15-13(9-20)18-6-5-10(8-19)7-14(18)17-15;1-17-12-6-7-14-18-15(13(9-20)19(14)8-12)10-2-4-11(16)5-3-10;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-11(17)10(16)5-8;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-10(16)11(17)5-8;15-8-1-3-10(11(17)5-8)14-12(7-20)19-6-9(16)2-4-13(19)18-14;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-11(17)10(16)5-8;/h2*2-8,20H,9H2,1H3;1-7,19-20H,8-9H2;2-8,20H,9H2;4*1-6,20H,7H2;1H
InChIKeyNDDIWKDPSUBWNE-UHFFFAOYSA-N
MW2753.68 g/mol
LogP29.09
Rot. Bonds19

About [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide

[6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide (PubChem CID 158287185) has the molecular formula C118H86Br6Cl7F4N17O13 and a molecular weight of 2753.68 g/mol. Its IUPAC name is [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide.

Molecular Properties

Compound Name[6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide
PubChem CID158287185
Molecular FormulaC118H86Br6Cl7F4N17O13
Molecular Weight2753.68 g/mol
Exact Mass2742.94
IUPAC Name[6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide
SMILESBr.COC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1.COC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1.OCc1c(-c2ccc(Cl)cc2Cl)nc2ccc(Cl)cn12.OCc1c(-c2ccc(F)c(Cl)c2)nc2ccc(Br)cn12.OCc1c(-c2ccc(F)c(Cl)c2)nc2ccc(Cl)cn12.OCc1c(-c2ccc(F)c(F)c2)nc2ccc(Br)cn12.OCc1ccn2c(CO)c(-c3ccc(Br)cc3)nc2c1.[C-]#[N+]c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1
InChIInChI=1S/2C16H13BrN2O3.C15H13BrN2O2.C15H10ClN3O.C14H9BrClFN2O.C14H9BrF2N2O.C14H9Cl3N2O.C14H9Cl2FN2O.BrH/c2*1-22-16(21)11-4-7-14-18-15(13(9-20)19(14)8-11)10-2-5-12(17)6-3-10;16-12-3-1-11(2-4-12)15-13(9-20)18-6-5-10(8-19)7-14(18)17-15;1-17-12-6-7-14-18-15(13(9-20)19(14)8-12)10-2-4-11(16)5-3-10;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-11(17)10(16)5-8;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-10(16)11(17)5-8;15-8-1-3-10(11(17)5-8)14-12(7-20)19-6-9(16)2-4-13(19)18-14;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-11(17)10(16)5-8;/h2*2-8,20H,9H2,1H3;1-7,19-20H,8-9H2;2-8,20H,9H2;4*1-6,20H,7H2;1H
InChIKeyNDDIWKDPSUBWNE-UHFFFAOYSA-N
XLogP29.09
TPSA377.43 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002753.68
LogP ≤ 529.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide?
The IUPAC name of [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide (CID 158287185) is [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide.
What is the SMILES notation for [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide?
The canonical SMILES for [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide is Br.COC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1.COC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1.OCc1c(-c2ccc(Cl)cc2Cl)nc2ccc(Cl)cn12.OCc1c(-c2ccc(F)c(Cl)c2)nc2ccc(Br)cn12.OCc1c(-c2ccc(F)c(Cl)c2)nc2ccc(Cl)cn12.OCc1c(-c2ccc(F)c(F)c2)nc2ccc(Br)cn12.OCc1ccn2c(CO)c(-c3ccc(Br)cc3)nc2c1.[C-]#[N+]c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.
What is the InChIKey of [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide?
The InChIKey is NDDIWKDPSUBWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13BrN2O3.C15H13BrN2O2.C15H10ClN3O.C14H9BrClFN2O.C14H9BrF2N2O.C14H9Cl3N2O.C14H9Cl2FN2O.BrH/c2*1-22-16(21)11-4-7-14-18-15(13(9-20)19(14)8-11)10-2-5-12(17)6-3-10;16-12-3-1-11(2-4-12)15-13(9-20)18-6-5-10(8-19)7-14(18)17-15;1-17-12-6-7-14-18-15(13(9-20)19(14)8-12)10-2-4-11(16)5-3-10;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-11(17)10(16)5-8;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-10(16)11(17)5-8;15-8-1-3-10(11(17)5-8)14-12(7-20)19-6-9(16)2-4-13(19)18-14;15-9-2-4-13-18-14(12(7-20)19(13)6-9)8-1-3-11(17)10(16)5-8;/h2*2-8,20H,9H2,1H3;1-7,19-20H,8-9H2;2-8,20H,9H2;4*1-6,20H,7H2;1H.
What are the key properties of [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide?
[6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide has a molecular weight of 2753.68 g/mol, XLogP of 29.09, 19 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-7-yl]methanol;[6-chloro-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-chlorophenyl)-6-isocyanoimidazo[1,2-a]pyridin-3-yl]methanol;bis(methyl 2-(4-bromophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate);hydrobromide is sourced from PubChem (CID 158287185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).