N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C24H18ClF2N7O — CID 118538891

IUPACN-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF
InChIInChI=1S/C24H18ClF2N7O/c1-14-29-22(15-2-4-17(25)5-3-15)23(33(14)11-9-26)18-6-7-21-30-20(13-34(21)32-18)31-24(35)16-8-10-28-19(27)12-16/h2-8,10,12-13H,9,11H2,1H3,(H,31,35)
InChIKeyPGXVVVRNCZVGEO-UHFFFAOYSA-N
MW493.91 g/mol
LogP4.98
Rot. Bonds6

About N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118538891) has the molecular formula C24H18ClF2N7O and a molecular weight of 493.91 g/mol. Its IUPAC name is N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID118538891
Molecular FormulaC24H18ClF2N7O
Molecular Weight493.91 g/mol
Exact Mass493.12
IUPAC NameN-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF
InChIInChI=1S/C24H18ClF2N7O/c1-14-29-22(15-2-4-17(25)5-3-15)23(33(14)11-9-26)18-6-7-21-30-20(13-34(21)32-18)31-24(35)16-8-10-28-19(27)12-16/h2-8,10,12-13H,9,11H2,1H3,(H,31,35)
InChIKeyPGXVVVRNCZVGEO-UHFFFAOYSA-N
XLogP4.98
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.91
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118538891) is N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF.
What is the InChIKey of N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is PGXVVVRNCZVGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N7O/c1-14-29-22(15-2-4-17(25)5-3-15)23(33(14)11-9-26)18-6-7-21-30-20(13-34(21)32-18)31-24(35)16-8-10-28-19(27)12-16/h2-8,10,12-13H,9,11H2,1H3,(H,31,35).
What are the key properties of N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 493.91 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-chlorophenyl)-3-(2-fluoroethyl)-2-methylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118538891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).