2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide

C22H28F4N4O — CID 166825725

IUPAC2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide
SMILESCC[C@@H](NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C22H28F4N4O/c1-2-18(29-20(31)8-15-10-22(25,26)11-15)16-9-19-28-17(13-30(19)27-12-16)7-14-3-5-21(23,24)6-4-14/h9,12-15,18H,2-8,10-11H2,1H3,(H,29,31)/t18-/m1/s1
InChIKeyJDICYYORPLHNRK-GOSISDBHSA-N
MW440.49 g/mol
LogP5.10
Rot. Bonds7

About 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide

2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide (PubChem CID 166825725) has the molecular formula C22H28F4N4O and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide
PubChem CID166825725
Molecular FormulaC22H28F4N4O
Molecular Weight440.49 g/mol
Exact Mass440.22
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide
SMILESCC[C@@H](NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C22H28F4N4O/c1-2-18(29-20(31)8-15-10-22(25,26)11-15)16-9-19-28-17(13-30(19)27-12-16)7-14-3-5-21(23,24)6-4-14/h9,12-15,18H,2-8,10-11H2,1H3,(H,29,31)/t18-/m1/s1
InChIKeyJDICYYORPLHNRK-GOSISDBHSA-N
XLogP5.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide 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-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide (CID 166825725) is 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide is CC[C@@H](NC(=O)CC1CC(F)(F)C1)c1cnn2cc(CC3CCC(F)(F)CC3)nc2c1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide?
The InChIKey is JDICYYORPLHNRK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28F4N4O/c1-2-18(29-20(31)8-15-10-22(25,26)11-15)16-9-19-28-17(13-30(19)27-12-16)7-14-3-5-21(23,24)6-4-14/h9,12-15,18H,2-8,10-11H2,1H3,(H,29,31)/t18-/m1/s1.
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide?
2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide has a molecular weight of 440.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[(1R)-1-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]propyl]acetamide is sourced from PubChem (CID 166825725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).