(1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate

C81H62BrN11O8 — CID 157107320

IUPAC(1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C)n3ccccc23)cc1.Cc1ccccc1C(=O)c1nc(-c2ccc(C(=O)O)cc2)c2ccccn12.Cc1ccccc1C(=O)c1nc(Br)c2ccccn12.Cc1ccccc1C(=O)c1ncc2ncccn12.c1ccn2cncc2c1
InChIInChI=1S/C23H18N2O3.C22H16N2O3.C15H11BrN2O.C14H11N3O.C7H6N2/c1-15-7-3-4-8-18(15)21(26)22-24-20(19-9-5-6-14-25(19)22)16-10-12-17(13-11-16)23(27)28-2;1-14-6-2-3-7-17(14)20(25)21-23-19(18-8-4-5-13-24(18)21)15-9-11-16(12-10-15)22(26)27;1-10-6-2-3-7-11(10)13(19)15-17-14(16)12-8-4-5-9-18(12)15;1-10-5-2-3-6-11(10)13(18)14-16-9-12-15-7-4-8-17(12)14;1-2-4-9-6-8-5-7(9)3-1/h3-14H,1-2H3;2-13H,1H3,(H,26,27);2-9H,1H3;2-9H,1H3;1-6H
InChIKeyAGLGOYHNPHMTRO-UHFFFAOYSA-N
MW1397.36 g/mol
LogP15.81
Rot. Bonds12

About (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate

(1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate (PubChem CID 157107320) has the molecular formula C81H62BrN11O8 and a molecular weight of 1397.36 g/mol. Its IUPAC name is (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate.

Molecular Properties

Compound Name(1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate
PubChem CID157107320
Molecular FormulaC81H62BrN11O8
Molecular Weight1397.36 g/mol
Exact Mass1395.40
IUPAC Name(1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C)n3ccccc23)cc1.Cc1ccccc1C(=O)c1nc(-c2ccc(C(=O)O)cc2)c2ccccn12.Cc1ccccc1C(=O)c1nc(Br)c2ccccn12.Cc1ccccc1C(=O)c1ncc2ncccn12.c1ccn2cncc2c1
InChIInChI=1S/C23H18N2O3.C22H16N2O3.C15H11BrN2O.C14H11N3O.C7H6N2/c1-15-7-3-4-8-18(15)21(26)22-24-20(19-9-5-6-14-25(19)22)16-10-12-17(13-11-16)23(27)28-2;1-14-6-2-3-7-17(14)20(25)21-23-19(18-8-4-5-13-24(18)21)15-9-11-16(12-10-15)22(26)27;1-10-6-2-3-7-11(10)13(19)15-17-14(16)12-8-4-5-9-18(12)15;1-10-5-2-3-6-11(10)13(18)14-16-9-12-15-7-4-8-17(12)14;1-2-4-9-6-8-5-7(9)3-1/h3-14H,1-2H3;2-13H,1H3,(H,26,27);2-9H,1H3;2-9H,1H3;1-6H
InChIKeyAGLGOYHNPHMTRO-UHFFFAOYSA-N
XLogP15.81
TPSA231.27 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.36
LogP ≤ 515.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate with MolForge

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Related Compounds

6-[2-(4-Butylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(1,3-dimethyl-2-methylidenebenzimidazol-5-yl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(5-fluoro-2-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 158398697
3-bromo-5H-cyclopenta[b]pyrazine;3-bromo-5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazine;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-7-iodopyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[5-[dideuterio-(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzoate
CID 157223474
Lithium;6-bromoimidazo[1,2-a]pyridine;4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid;(4-ethoxycarbonyl-3-fluorophenyl)boronic acid;ethyl 4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoate;ethyl 2-fluoro-4-imidazo[1,2-a]pyridin-6-ylbenzoate;ethyl 2-fluoro-4-(3-iodoimidazo[1,2-a]pyridin-6-yl)benzoate;4-[6-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;(4-isocyanophenyl)boronic acid;1-methylpiperidine;hydroxide
CID 157390537
2,5-difluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-fluoro-4-methyl-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;methyl 3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]-4-fluorobenzoate;methyl 4-fluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate;methyl 3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 157475385
(8-Bromoimidazo[1,5-a]pyrimidin-6-yl)-(2,6-dichlorophenyl)methanone;(2,6-dichlorophenyl)-imidazo[1,5-a]pyrimidin-6-ylmethanone;2-(2,6-dichlorophenyl)-2-oxoacetic acid;1-(2,6-dichlorophenyl)-4-pyrimidin-2-ylbutane-1,2-dione;methyl 4-[6-(2,6-dichlorobenzoyl)imidazo[1,5-a]pyrimidin-8-yl]benzoate
CID 157536660
3-bromo-5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;5-bromo-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridine;3-[5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;methyl 3-[5-(3,5-dimethyltriazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-3-yl]benzoate
CID 157560848
1-(3H-furan-3-id-2-yl)isoquinoline;tris(4-hydroxypent-3-en-2-one);3-hydroxy-1-phenylbut-2-en-1-one;hexakis(iridium);1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(2H-naphthalen-2-id-1-yl)isoquinoline;1-phenylisoquinoline;4-phenylpteridine;bis(2-phenylpyridine);1-(3H-pyridin-3-id-4-yl)isoquinoline
CID 157712487
1,3-Bis(7-phenylimidazo[1,5-a]pyridin-5-yl)propan-2-one;methyl 6-(aminomethyl)-4-phenylpyridine-2-carboxylate;methyl 6-(3-oxopropyl)-4-phenylpyridine-2-carboxylate;methyl 7-phenylimidazo[1,5-a]pyridine-5-carboxylate;7-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 157929061
azane;2-bromo-5-fluoropyridine;N-(4-fluorophenyl)-1-methylbenzimidazol-2-amine;1-[4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenyl]-2-hydroxyethanone;1-methylbenzimidazol-2-amine;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]benzoate
CID 158075992
CID 158096930
CID 158096930
azane;2-bromo-5-fluoropyridine;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;1-[4-[[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-2-hydroxyethanone;1-methylbenzimidazol-2-amine;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]benzoate
CID 158188749
carbon dioxide;6-[3-(hydroxymethyl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-oxo-3H-2-benzofuran-5-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]acetic acid;1-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid
CID 158192875

Frequently Asked Questions

What is the IUPAC name of (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate?
The IUPAC name of (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate (CID 157107320) is (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate.
What is the SMILES notation for (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate?
The canonical SMILES for (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate is COC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C)n3ccccc23)cc1.Cc1ccccc1C(=O)c1nc(-c2ccc(C(=O)O)cc2)c2ccccn12.Cc1ccccc1C(=O)c1nc(Br)c2ccccn12.Cc1ccccc1C(=O)c1ncc2ncccn12.c1ccn2cncc2c1.
What is the InChIKey of (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate?
The InChIKey is AGLGOYHNPHMTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3.C22H16N2O3.C15H11BrN2O.C14H11N3O.C7H6N2/c1-15-7-3-4-8-18(15)21(26)22-24-20(19-9-5-6-14-25(19)22)16-10-12-17(13-11-16)23(27)28-2;1-14-6-2-3-7-17(14)20(25)21-23-19(18-8-4-5-13-24(18)21)15-9-11-16(12-10-15)22(26)27;1-10-6-2-3-7-11(10)13(19)15-17-14(16)12-8-4-5-9-18(12)15;1-10-5-2-3-6-11(10)13(18)14-16-9-12-15-7-4-8-17(12)14;1-2-4-9-6-8-5-7(9)3-1/h3-14H,1-2H3;2-13H,1H3,(H,26,27);2-9H,1H3;2-9H,1H3;1-6H.
What are the key properties of (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate?
(1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate has a molecular weight of 1397.36 g/mol, XLogP of 15.81, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate is sourced from PubChem (CID 157107320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).