N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide

C25H21ClF3N5O — CID 67982854

IUPACN-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)ccc1Cl)C1CCCCC1
InChIInChI=1S/C25H21ClF3N5O/c26-18-9-8-16(13-20(18)32-24(35)15-5-2-1-3-6-15)21-14-34-22(31-21)11-10-19(33-34)17-7-4-12-30-23(17)25(27,28)29/h4,7-15H,1-3,5-6H2,(H,32,35)
InChIKeyXJKUOSJTHRGFSD-UHFFFAOYSA-N
MW499.92 g/mol
LogP6.65
Rot. Bonds4

About N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide

N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 67982854) has the molecular formula C25H21ClF3N5O and a molecular weight of 499.92 g/mol. Its IUPAC name is N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID67982854
Molecular FormulaC25H21ClF3N5O
Molecular Weight499.92 g/mol
Exact Mass499.14
IUPAC NameN-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)ccc1Cl)C1CCCCC1
InChIInChI=1S/C25H21ClF3N5O/c26-18-9-8-16(13-20(18)32-24(35)15-5-2-1-3-6-15)21-14-34-22(31-21)11-10-19(33-34)17-7-4-12-30-23(17)25(27,28)29/h4,7-15H,1-3,5-6H2,(H,32,35)
InChIKeyXJKUOSJTHRGFSD-UHFFFAOYSA-N
XLogP6.65
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.92
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopentanecarboxamide
CID 16886104
N'-hydroxy-N-[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]hexanediamide
CID 88541540
N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide
CID 16886064
N-[2-chloro-4-fluoro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]-4,4,4-trifluoro-3-methylbutanamide
CID 88541602
N-[5-[6-(2-fluoro-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 57407088
N-[5-[6-(2-amino-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 67983750
N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopentanecarboxamide
CID 16824962
N-(2-aminophenyl)-3-[3-[[2-methyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 67983125
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
CID 16824889
2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16886088
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide
CID 67983923

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide (CID 67982854) is N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1cc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)ccc1Cl)C1CCCCC1.
What is the InChIKey of N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is XJKUOSJTHRGFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N5O/c26-18-9-8-16(13-20(18)32-24(35)15-5-2-1-3-6-15)21-14-34-22(31-21)11-10-19(33-34)17-7-4-12-30-23(17)25(27,28)29/h4,7-15H,1-3,5-6H2,(H,32,35).
What are the key properties of N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide?
N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 499.92 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 67982854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).