3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

C79H56BrF5N22O — CID 160920503

IUPAC3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1.Fc1ccc(-c2cn(-c3cccnc3)cn2)cc1.Fc1ccc(-c2cnc[nH]2)cc1.Fc1ccc(-c2ncn(-c3cccnc3)c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1
InChIInChI=1S/C22H16FN7O.C20H14FN7.C14H9BrFN3.C14H10FN3.C9H7FN2/c1-14(31)26-19-12-30-20(27-19)9-8-18(28-30)22-21(15-4-6-16(23)7-5-15)25-13-29(22)17-3-2-10-24-11-17;21-14-5-3-13(4-6-14)19-20(27(12-24-19)15-2-1-9-23-10-15)16-7-8-18-25-17(22)11-28(18)26-16;15-14-13(10-3-5-11(16)6-4-10)18-9-19(14)12-2-1-7-17-8-12;15-12-5-3-11(4-6-12)14-9-18(10-17-14)13-2-1-7-16-8-13;10-8-3-1-7(2-4-8)9-5-11-6-12-9/h2-13H,1H3,(H,26,31);1-12H,22H2;1-9H;1-10H;1-6H,(H,11,12)
InChIKeySRYSUNAKKDLPII-UHFFFAOYSA-N
MW1504.36 g/mol
LogP16.23
Rot. Bonds12

About 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide

3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 160920503) has the molecular formula C79H56BrF5N22O and a molecular weight of 1504.36 g/mol. Its IUPAC name is 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound Name3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID160920503
Molecular FormulaC79H56BrF5N22O
Molecular Weight1504.36 g/mol
Exact Mass1502.41
IUPAC Name3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1.Fc1ccc(-c2cn(-c3cccnc3)cn2)cc1.Fc1ccc(-c2cnc[nH]2)cc1.Fc1ccc(-c2ncn(-c3cccnc3)c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1
InChIInChI=1S/C22H16FN7O.C20H14FN7.C14H9BrFN3.C14H10FN3.C9H7FN2/c1-14(31)26-19-12-30-20(27-19)9-8-18(28-30)22-21(15-4-6-16(23)7-5-15)25-13-29(22)17-3-2-10-24-11-17;21-14-5-3-13(4-6-14)19-20(27(12-24-19)15-2-1-9-23-10-15)16-7-8-18-25-17(22)11-28(18)26-16;15-14-13(10-3-5-11(16)6-4-10)18-9-19(14)12-2-1-7-17-8-12;15-12-5-3-11(4-6-12)14-9-18(10-17-14)13-2-1-7-16-8-13;10-8-3-1-7(2-4-8)9-5-11-6-12-9/h2-13H,1H3,(H,26,31);1-12H,22H2;1-9H;1-10H;1-6H,(H,11,12)
InChIKeySRYSUNAKKDLPII-UHFFFAOYSA-N
XLogP16.23
TPSA267.02 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.36
LogP ≤ 516.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(2,4-difluorophenyl)methyl-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-3-(5-methyl-1H-pyrazol-4-yl)propyl]-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-1-[2-[(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]ethyl]imidazolidin-1-ium-2-one
CID 87551145
3-[6-[(2R)-2-[3-[3-(carbamoylamino)-6-[(2R)-2-[3-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-8-yl]-2,5-difluorophenyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-8-yl]-2,5-difluorophenyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1,1-dimethylurea
CID 129103378
2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035357
2-fluoro-4-[6-[2-[(3-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035489
5-[(dimethylamino)methyl]-2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-[2-[2-[[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methylamino]ethoxy]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]aniline
CID 132035496
4-[6-[2-[(3,4-difluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3-difluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035661
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1-[2-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]anilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136631168
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
N-[5-[3-[7-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-c]pyridin-7-yl]-4-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145037358
N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide
CID 145244738
N-[5-[3-[7-[4-fluoro-3-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[(1E,3Z)-3-methyl-1-(methylideneamino)penta-1,3-dien-2-yl]-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 145248790
[3-[2-[[[4-[4-[6-[2-[[[2-(4-fluorophenyl)phenyl]methyl-iodoamino]methyl]-4-(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6-methyl-2-pyridinyl]-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl-iodoamino]methyl]phenyl]phenyl]methanamine
CID 156262818

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 160920503) is 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1.Fc1ccc(-c2cn(-c3cccnc3)cn2)cc1.Fc1ccc(-c2cnc[nH]2)cc1.Fc1ccc(-c2ncn(-c3cccnc3)c2Br)cc1.Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1.
What is the InChIKey of 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is SRYSUNAKKDLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O.C20H14FN7.C14H9BrFN3.C14H10FN3.C9H7FN2/c1-14(31)26-19-12-30-20(27-19)9-8-18(28-30)22-21(15-4-6-16(23)7-5-15)25-13-29(22)17-3-2-10-24-11-17;21-14-5-3-13(4-6-14)19-20(27(12-24-19)15-2-1-9-23-10-15)16-7-8-18-25-17(22)11-28(18)26-16;15-14-13(10-3-5-11(16)6-4-10)18-9-19(14)12-2-1-7-17-8-12;15-12-5-3-11(4-6-12)14-9-18(10-17-14)13-2-1-7-16-8-13;10-8-3-1-7(2-4-8)9-5-11-6-12-9/h2-13H,1H3,(H,26,31);1-12H,22H2;1-9H;1-10H;1-6H,(H,11,12).
What are the key properties of 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 1504.36 g/mol, XLogP of 16.23, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-4-(4-fluorophenyl)imidazol-1-yl]pyridine;5-(4-fluorophenyl)-1H-imidazole;3-[4-(4-fluorophenyl)imidazol-1-yl]pyridine;6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 160920503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).