4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide

C26H30F3N5OS — CID 56928700

IUPAC4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(SC4CCCCC4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H30F3N5OS/c1-16-13-17(7-10-20(16)25(35)32-18-8-9-18)22-15-31-24-21(30-12-11-26(27,28)29)14-23(33-34(22)24)36-19-5-3-2-4-6-19/h7,10,13-15,18-19,30H,2-6,8-9,11-12H2,1H3,(H,32,35)
InChIKeyYZEUXFGQXGPMMF-UHFFFAOYSA-N
MW517.62 g/mol
LogP6.39
Rot. Bonds8

About 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide

4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 56928700) has the molecular formula C26H30F3N5OS and a molecular weight of 517.62 g/mol. Its IUPAC name is 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID56928700
Molecular FormulaC26H30F3N5OS
Molecular Weight517.62 g/mol
Exact Mass517.21
IUPAC Name4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(SC4CCCCC4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H30F3N5OS/c1-16-13-17(7-10-20(16)25(35)32-18-8-9-18)22-15-31-24-21(30-12-11-26(27,28)29)14-23(33-34(22)24)36-19-5-3-2-4-6-19/h7,10,13-15,18-19,30H,2-6,8-9,11-12H2,1H3,(H,32,35)
InChIKeyYZEUXFGQXGPMMF-UHFFFAOYSA-N
XLogP6.39
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.62
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide 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 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide (CID 56928700) is 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(SC4CCCCC4)nn23)ccc1C(=O)NC1CC1.
What is the InChIKey of 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is YZEUXFGQXGPMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5OS/c1-16-13-17(7-10-20(16)25(35)32-18-8-9-18)22-15-31-24-21(30-12-11-26(27,28)29)14-23(33-34(22)24)36-19-5-3-2-4-6-19/h7,10,13-15,18-19,30H,2-6,8-9,11-12H2,1H3,(H,32,35).
What are the key properties of 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide?
4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 517.62 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-cyclohexylsulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 56928700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).