3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione

C65H34ClF21IN21O2 — CID 158016902

IUPAC3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)cnn23)cn1.FC(F)(F)c1cnnc(Cl)c1.Fc1ccc(-c2cn3ncc(C(F)(F)F)cc3n2)nc1.Fc1ccc(-c2nc3cc(C(F)(F)F)cnn3c2I)nc1.Nc1cc(C(F)(F)F)cnn1.O=C1c2ccccc2C(=O)N1c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C18H11F4N5.C13H6F3N3O2.C12H5F4IN4.C12H6F4N4.C5H2ClF3N2.C5H4F3N3/c1-10-2-3-11(7-23-10)17-16(14-5-4-13(19)9-24-14)26-15-6-12(18(20,21)22)8-25-27(15)17;14-13(15,16)7-5-10(18-17-6-7)19-11(20)8-3-1-2-4-9(8)12(19)21;13-7-1-2-8(18-5-7)10-11(17)21-9(20-10)3-6(4-19-21)12(14,15)16;13-8-1-2-9(17-5-8)10-6-20-11(19-10)3-7(4-18-20)12(14,15)16;6-4-1-3(2-10-11-4)5(7,8)9;6-5(7,8)3-1-4(9)11-10-2-3/h2-9H,1H3;1-6H;1-5H;1-6H;1-2H;1-2H,(H2,9,11)
InChIKeyFFOUPWXOMJHTRS-UHFFFAOYSA-N
MW1702.45 g/mol
LogP16.35
Rot. Bonds5

About 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione

3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione (PubChem CID 158016902) has the molecular formula C65H34ClF21IN21O2 and a molecular weight of 1702.45 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione
PubChem CID158016902
Molecular FormulaC65H34ClF21IN21O2
Molecular Weight1702.45 g/mol
Exact Mass1701.16
IUPAC Name3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)cnn23)cn1.FC(F)(F)c1cnnc(Cl)c1.Fc1ccc(-c2cn3ncc(C(F)(F)F)cc3n2)nc1.Fc1ccc(-c2nc3cc(C(F)(F)F)cnn3c2I)nc1.Nc1cc(C(F)(F)F)cnn1.O=C1c2ccccc2C(=O)N1c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C18H11F4N5.C13H6F3N3O2.C12H5F4IN4.C12H6F4N4.C5H2ClF3N2.C5H4F3N3/c1-10-2-3-11(7-23-10)17-16(14-5-4-13(19)9-24-14)26-15-6-12(18(20,21)22)8-25-27(15)17;14-13(15,16)7-5-10(18-17-6-7)19-11(20)8-3-1-2-4-9(8)12(19)21;13-7-1-2-8(18-5-7)10-11(17)21-9(20-10)3-6(4-19-21)12(14,15)16;13-8-1-2-9(17-5-8)10-6-20-11(19-10)3-7(4-18-20)12(14,15)16;6-4-1-3(2-10-11-4)5(7,8)9;6-5(7,8)3-1-4(9)11-10-2-3/h2-9H,1H3;1-6H;1-5H;1-6H;1-2H;1-2H,(H2,9,11)
InChIKeyFFOUPWXOMJHTRS-UHFFFAOYSA-N
XLogP16.35
TPSA282.87 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds5
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.45
LogP ≤ 516.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(6-(4-(4-chlorophenyl)-2-methyl-1-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-2-fluoroisonicotin-amide
CID 118538617
N-(6-(4-(4-chlorophenyl)-1-(2,2-difluoroethyl)-2-methyl-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-2-fluoroiso-nicotinamide
CID 118538816
N-(6-(4-(4-chlorophenyl)-1-(2-fluoroethyl)-2-methyl-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538891
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-((1-methylpiperidin-4-yl)methyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-6]pyridazin-2-yl)isonicotinamide
CID 118547765
2-chloro-N-(6-(2-(4-fluorophenyl)imidazo[1,2-a] pyridin-3-yl)imidazo[1,2-b] pyridazin-2-yl)-5-(trifluoromethyl) isonicotinamide
CID 118538664
3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
(4-chloro-2-fluorophenyl)-[1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[(4S)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 90409431
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118547779
[2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[(6R)-6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 118875590
2-fluoro-N-[6-[2-(4-methylphenyl)-7-(7,7,7-trifluoroheptanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 132038159
[2-chloro-3-(trifluoromethyl)phenyl]-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 134537923
6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 144734781

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione?
The IUPAC name of 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione (CID 158016902) is 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione is Cc1ccc(-c2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)cnn23)cn1.FC(F)(F)c1cnnc(Cl)c1.Fc1ccc(-c2cn3ncc(C(F)(F)F)cc3n2)nc1.Fc1ccc(-c2nc3cc(C(F)(F)F)cnn3c2I)nc1.Nc1cc(C(F)(F)F)cnn1.O=C1c2ccccc2C(=O)N1c1cc(C(F)(F)F)cnn1.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione?
The InChIKey is FFOUPWXOMJHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5.C13H6F3N3O2.C12H5F4IN4.C12H6F4N4.C5H2ClF3N2.C5H4F3N3/c1-10-2-3-11(7-23-10)17-16(14-5-4-13(19)9-24-14)26-15-6-12(18(20,21)22)8-25-27(15)17;14-13(15,16)7-5-10(18-17-6-7)19-11(20)8-3-1-2-4-9(8)12(19)21;13-7-1-2-8(18-5-7)10-11(17)21-9(20-10)3-6(4-19-21)12(14,15)16;13-8-1-2-9(17-5-8)10-6-20-11(19-10)3-7(4-18-20)12(14,15)16;6-4-1-3(2-10-11-4)5(7,8)9;6-5(7,8)3-1-4(9)11-10-2-3/h2-9H,1H3;1-6H;1-5H;1-6H;1-2H;1-2H,(H2,9,11).
What are the key properties of 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione?
3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione has a molecular weight of 1702.45 g/mol, XLogP of 16.35, 5 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)pyridazine;2-(5-fluoro-2-pyridinyl)-3-iodo-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;2-(5-fluoro-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;5-(trifluoromethyl)pyridazin-3-amine;2-[5-(trifluoromethyl)pyridazin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 158016902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).