(8-bromoimidazo[1,5-a]pyrimidin-6-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

C80H61BrN12O8 — CID 158349515

IUPAC(8-bromoimidazo[1,5-a]pyrimidin-6-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)c2ncccn12.Cc1ccccc1C(=O)c1ncc2ncccn12.c1ccn2cncc2c1
InChIInChI=1S/C23H18N2O3.C22H16N2O3.C14H10BrN3O.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;1-9-5-2-3-6-10(9)11(19)13-17-12(15)14-16-7-4-8-18(13)14;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);2-8H,1H3;2-9H,1H3;1-6H
InChIKeyGSDIPQZXRPPJSJ-UHFFFAOYSA-N
MW1398.35 g/mol
LogP15.20
Rot. Bonds12

About (8-bromoimidazo[1,5-a]pyrimidin-6-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

(8-bromoimidazo[1,5-a]pyrimidin-6-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 158349515) has the molecular formula C80H61BrN12O8 and a molecular weight of 1398.35 g/mol. Its IUPAC name is (8-bromoimidazo[1,5-a]pyrimidin-6-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(8-bromoimidazo[1,5-a]pyrimidin-6-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 CID158349515
Molecular FormulaC80H61BrN12O8
Molecular Weight1398.35 g/mol
Exact Mass1396.39
IUPAC Name(8-bromoimidazo[1,5-a]pyrimidin-6-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)c2ncccn12.Cc1ccccc1C(=O)c1ncc2ncccn12.c1ccn2cncc2c1
InChIInChI=1S/C23H18N2O3.C22H16N2O3.C14H10BrN3O.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;1-9-5-2-3-6-10(9)11(19)13-17-12(15)14-16-7-4-8-18(13)14;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);2-8H,1H3;2-9H,1H3;1-6H
InChIKeyGSDIPQZXRPPJSJ-UHFFFAOYSA-N
XLogP15.20
TPSA244.16 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001398.35
LogP ≤ 515.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze (8-bromoimidazo[1,5-a]pyrimidin-6-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

1-(3H-furan-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;3-hydroxy-1-phenylbut-2-en-1-one;pentakis(iridium);bis(1-(3H-naphthalen-3-id-2-yl)isoquinoline);4-phenylpteridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)pyridine
CID 157603072
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
2-[2-(1-hydroxycyclopropyl)phenyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methyl 2-[9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-8-oxo-7H-purin-2-yl]benzoate;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-7H-purin-8-one;oxolane
CID 158619529
6-[2-[4-(1,1-Difluoroethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2,4-difluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-ethynylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 158727613
2-[2-(1-hydroxycyclopropyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methyl 2-[7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]benzoate;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(2H-triazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167637259
2-[4-[[6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[4-methyl-6-(3-methylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;3-methyl-2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[4,5-b]pyridine;2-[4-[[4-methyl-2-propyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid;2-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[1,2-a]pyrimidine
CID 157055456
(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
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
4-(3,5-Dimethylphenyl)-6-[1-(3,5-dimethylphenyl)-2-indol-1-id-7-ylbenzimidazol-4-yl]pyridine-2-carboxylic acid;4-(3,5-dimethylphenyl)-6-[2-indol-1-id-7-yl-1-(3-phenylphenyl)benzimidazol-4-yl]pyridine-2-carboxylic acid;4-(3,5-dimethylphenyl)-6-(2-indol-1-id-7-yl-1-propan-2-ylbenzimidazol-4-yl)pyridine-2-carboxylic acid;6-(2-indol-1-id-7-yl-1-propan-2-ylbenzimidazol-4-yl)-4-phenylpyridine-2-carboxylic acid;6-(2-indol-1-id-7-yl-1-propan-2-ylbenzimidazol-4-yl)pyridine-2-carboxylic acid;platinum
CID 157325201
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
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one
CID 157477866
(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

Frequently Asked Questions

What is the IUPAC name of (8-bromoimidazo[1,5-a]pyrimidin-6-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 (8-bromoimidazo[1,5-a]pyrimidin-6-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 158349515) is (8-bromoimidazo[1,5-a]pyrimidin-6-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 (8-bromoimidazo[1,5-a]pyrimidin-6-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 (8-bromoimidazo[1,5-a]pyrimidin-6-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)c2ncccn12.Cc1ccccc1C(=O)c1ncc2ncccn12.c1ccn2cncc2c1.
What is the InChIKey of (8-bromoimidazo[1,5-a]pyrimidin-6-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 GSDIPQZXRPPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3.C22H16N2O3.C14H10BrN3O.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;1-9-5-2-3-6-10(9)11(19)13-17-12(15)14-16-7-4-8-18(13)14;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);2-8H,1H3;2-9H,1H3;1-6H.
What are the key properties of (8-bromoimidazo[1,5-a]pyrimidin-6-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?
(8-bromoimidazo[1,5-a]pyrimidin-6-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 1398.35 g/mol, XLogP of 15.20, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromoimidazo[1,5-a]pyrimidin-6-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 158349515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).