4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C83H79BrF11N15O4 — CID 160664657

IUPAC4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCOc1ccc(Cc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Cc4cccc(Br)c4)nn23)ccc1C(=O)NC1CC1.Cc1ccc(Cc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F
InChIInChI=1S/C28H27F4N5O2.C28H27F4N5O.C27H25BrF3N5O/c1-16-11-18(4-7-21(16)27(38)35-19-5-6-19)24-15-34-26-23(33-10-9-28(30,31)32)14-20(36-37(24)26)12-17-3-8-25(39-2)22(29)13-17;1-16-3-4-18(13-23(16)29)12-21-14-24(33-10-9-28(30,31)32)26-34-15-25(37(26)36-21)19-5-8-22(17(2)11-19)27(38)35-20-6-7-20;1-16-11-18(5-8-22(16)26(37)34-20-6-7-20)24-15-33-25-23(32-10-9-27(29,30)31)14-21(35-36(24)25)13-17-3-2-4-19(28)12-17/h3-4,7-8,11,13-15,19,33H,5-6,9-10,12H2,1-2H3,(H,35,38);3-5,8,11,13-15,20,33H,6-7,9-10,12H2,1-2H3,(H,35,38);2-5,8,11-12,14-15,20,32H,6-7,9-10,13H2,1H3,(H,34,37)
InChIKeyRMDBBBLUBVUSCM-UHFFFAOYSA-N
MW1639.53 g/mol
LogP18.01
Rot. Bonds25

About 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 160664657) has the molecular formula C83H79BrF11N15O4 and a molecular weight of 1639.53 g/mol. Its IUPAC name is 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID160664657
Molecular FormulaC83H79BrF11N15O4
Molecular Weight1639.53 g/mol
Exact Mass1637.54
IUPAC Name4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCOc1ccc(Cc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Cc4cccc(Br)c4)nn23)ccc1C(=O)NC1CC1.Cc1ccc(Cc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F
InChIInChI=1S/C28H27F4N5O2.C28H27F4N5O.C27H25BrF3N5O/c1-16-11-18(4-7-21(16)27(38)35-19-5-6-19)24-15-34-26-23(33-10-9-28(30,31)32)14-20(36-37(24)26)12-17-3-8-25(39-2)22(29)13-17;1-16-3-4-18(13-23(16)29)12-21-14-24(33-10-9-28(30,31)32)26-34-15-25(37(26)36-21)19-5-8-22(17(2)11-19)27(38)35-20-6-7-20;1-16-11-18(5-8-22(16)26(37)34-20-6-7-20)24-15-33-25-23(32-10-9-27(29,30)31)14-21(35-36(24)25)13-17-3-2-4-19(28)12-17/h3-4,7-8,11,13-15,19,33H,5-6,9-10,12H2,1-2H3,(H,35,38);3-5,8,11,13-15,20,33H,6-7,9-10,12H2,1-2H3,(H,35,38);2-5,8,11-12,14-15,20,32H,6-7,9-10,13H2,1H3,(H,34,37)
InChIKeyRMDBBBLUBVUSCM-UHFFFAOYSA-N
XLogP18.01
TPSA223.19 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001639.53
LogP ≤ 518.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide with MolForge

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Related Compounds

N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
N-cyclopropyl-4-[6-[1-(4-methoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735274
N-cyclopropyl-4-[6-[difluoro-(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71737356
N-[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzamide
CID 24829969
N-cyclopropyl-4-[6-(3-fluoro-4-methoxyanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 56929379
N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691790
N-cyclopropyl-4-{6-[1-(5-fluoro-2-methoxyphenyl)ethenyl]-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl}-2-methylbenzamide
CID 89814819
4-(6-{1-[2-(benzyloxy)-5-fluorophenyl]cyclopropyl}-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropyl-2-methylbenzamide
CID 89815106
N-cyclopropyl-4-[6-[(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 89815134
N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 89815222

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 160664657) is 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is COc1ccc(Cc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Cc4cccc(Br)c4)nn23)ccc1C(=O)NC1CC1.Cc1ccc(Cc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F.
What is the InChIKey of 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is RMDBBBLUBVUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4N5O2.C28H27F4N5O.C27H25BrF3N5O/c1-16-11-18(4-7-21(16)27(38)35-19-5-6-19)24-15-34-26-23(33-10-9-28(30,31)32)14-20(36-37(24)26)12-17-3-8-25(39-2)22(29)13-17;1-16-3-4-18(13-23(16)29)12-21-14-24(33-10-9-28(30,31)32)26-34-15-25(37(26)36-21)19-5-8-22(17(2)11-19)27(38)35-20-6-7-20;1-16-11-18(5-8-22(16)26(37)34-20-6-7-20)24-15-33-25-23(32-10-9-27(29,30)31)14-21(35-36(24)25)13-17-3-2-4-19(28)12-17/h3-4,7-8,11,13-15,19,33H,5-6,9-10,12H2,1-2H3,(H,35,38);3-5,8,11,13-15,20,33H,6-7,9-10,12H2,1-2H3,(H,35,38);2-5,8,11-12,14-15,20,32H,6-7,9-10,13H2,1H3,(H,34,37).
What are the key properties of 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 1639.53 g/mol, XLogP of 18.01, 25 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-bromophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[(3-fluoro-4-methylphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 160664657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).