N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide

C26H22F3N5O2 — CID 89464321

IUPACN-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cnc2cccnn12
InChIInChI=1S/C26H22F3N5O2/c27-26(28,29)19-8-11-24(31-15-19)36-21-4-1-3-18(14-21)13-17-6-9-20(10-7-17)33-25(35)22-16-30-23-5-2-12-32-34(22)23/h1-5,8,11-16,20H,6-7,9-10H2,(H,33,35)/b17-13-
InChIKeyPKKWVFMJWLVMSI-LGMDPLHJSA-N
MW493.49 g/mol
LogP5.69
Rot. Bonds5

About N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 89464321) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID89464321
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC NameN-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cnc2cccnn12
InChIInChI=1S/C26H22F3N5O2/c27-26(28,29)19-8-11-24(31-15-19)36-21-4-1-3-18(14-21)13-17-6-9-20(10-7-17)33-25(35)22-16-30-23-5-2-12-32-34(22)23/h1-5,8,11-16,20H,6-7,9-10H2,(H,33,35)/b17-13-
InChIKeyPKKWVFMJWLVMSI-LGMDPLHJSA-N
XLogP5.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide 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 N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 89464321) is N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cnc2cccnn12.
What is the InChIKey of N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is PKKWVFMJWLVMSI-LGMDPLHJSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c27-26(28,29)19-8-11-24(31-15-19)36-21-4-1-3-18(14-21)13-17-6-9-20(10-7-17)33-25(35)22-16-30-23-5-2-12-32-34(22)23/h1-5,8,11-16,20H,6-7,9-10H2,(H,33,35)/b17-13-.
What are the key properties of N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 89464321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).