2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C27H25F2N7O2 — CID 118538635

IUPAC2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCC(C)(C)OCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C27H25F2N7O2/c1-27(2,3)38-13-12-35-16-31-24(17-4-6-19(28)7-5-17)25(35)20-8-9-23-32-22(15-36(23)34-20)33-26(37)18-10-11-30-21(29)14-18/h4-11,14-16H,12-13H2,1-3H3,(H,33,37)
InChIKeyGJNWXEBJYFDCPC-UHFFFAOYSA-N
MW517.54 g/mol
LogP5.00
Rot. Bonds7

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538635) has the molecular formula C27H25F2N7O2 and a molecular weight of 517.54 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118538635
Molecular FormulaC27H25F2N7O2
Molecular Weight517.54 g/mol
Exact Mass517.20
IUPAC Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCC(C)(C)OCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C27H25F2N7O2/c1-27(2,3)38-13-12-35-16-31-24(17-4-6-19(28)7-5-17)25(35)20-8-9-23-32-22(15-36(23)34-20)33-26(37)18-10-11-30-21(29)14-18/h4-11,14-16H,12-13H2,1-3H3,(H,33,37)
InChIKeyGJNWXEBJYFDCPC-UHFFFAOYSA-N
XLogP5.00
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide 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

Tizaterkib
CID 129116690
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
GSK-3|A inhibitor 13
CID 134551592
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
4-N,2-dimethyl-3-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-N-(2,2,2-trifluoroethyl)pyrazole-3,4-dicarboxamide
CID 57378176
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87382935
US10399985, Example 31
CID 118278223

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538635) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is CC(C)(C)OCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1.
What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is GJNWXEBJYFDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O2/c1-27(2,3)38-13-12-35-16-31-24(17-4-6-19(28)7-5-17)25(35)20-8-9-23-32-22(15-36(23)34-20)33-26(37)18-10-11-30-21(29)14-18/h4-11,14-16H,12-13H2,1-3H3,(H,33,37).
What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 517.54 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).