2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

C39H35F5N10 — CID 118278202

IUPAC2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)F)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12.Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C20H19F2N5.C19H16F3N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14;1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h3-7,9,11-12,20H,8,10H2,1-2H3;2-6,8,10-12H,7,9H2,1H3
InChIKeyVMYYZIDQZJLXOZ-UHFFFAOYSA-N
MW738.77 g/mol
LogP8.09
Rot. Bonds9

About 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118278202) has the molecular formula C39H35F5N10 and a molecular weight of 738.77 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118278202
Molecular FormulaC39H35F5N10
Molecular Weight738.77 g/mol
Exact Mass738.30
IUPAC Name2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)F)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12.Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C20H19F2N5.C19H16F3N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14;1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h3-7,9,11-12,20H,8,10H2,1-2H3;2-6,8,10-12H,7,9H2,1H3
InChIKeyVMYYZIDQZJLXOZ-UHFFFAOYSA-N
XLogP8.09
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.77
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118278202) is 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cc1c(C(F)F)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12.Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is VMYYZIDQZJLXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5.C19H16F3N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14;1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h3-7,9,11-12,20H,8,10H2,1-2H3;2-6,8,10-12H,7,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 738.77 g/mol, XLogP of 8.09, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).