N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C24H17F4N7O2 — CID 118537177

IUPACN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(OCC(F)(F)F)nc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H17F4N7O2/c1-34-11-17(22(33-34)14-2-5-16(25)6-3-14)18-7-8-20-30-19(12-35(20)32-18)31-23(36)15-4-9-21(29-10-15)37-13-24(26,27)28/h2-12H,13H2,1H3,(H,31,36)
InChIKeyAEFKNRKCPSWJDE-UHFFFAOYSA-N
MW511.44 g/mol
LogP4.52
Rot. Bonds6

About N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 118537177) has the molecular formula C24H17F4N7O2 and a molecular weight of 511.44 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID118537177
Molecular FormulaC24H17F4N7O2
Molecular Weight511.44 g/mol
Exact Mass511.14
IUPAC NameN-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCn1cc(-c2ccc3nc(NC(=O)c4ccc(OCC(F)(F)F)nc4)cn3n2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H17F4N7O2/c1-34-11-17(22(33-34)14-2-5-16(25)6-3-14)18-7-8-20-30-19(12-35(20)32-18)31-23(36)15-4-9-21(29-10-15)37-13-24(26,27)28/h2-12H,13H2,1H3,(H,31,36)
InChIKeyAEFKNRKCPSWJDE-UHFFFAOYSA-N
XLogP4.52
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 118537177) is N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4ccc(OCC(F)(F)F)nc4)cn3n2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is AEFKNRKCPSWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N7O2/c1-34-11-17(22(33-34)14-2-5-16(25)6-3-14)18-7-8-20-30-19(12-35(20)32-18)31-23(36)15-4-9-21(29-10-15)37-13-24(26,27)28/h2-12H,13H2,1H3,(H,31,36).
What are the key properties of N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 511.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 118537177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).