N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide

C24H17F3N6O2 — CID 59175304

IUPACN-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cccc(Oc2ccc3nc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3n2)c1
InChIInChI=1S/C24H17F3N6O2/c1-32-19(11-12-28-32)16-3-2-4-18(13-16)35-22-10-9-21-29-20(14-33(21)31-22)30-23(34)15-5-7-17(8-6-15)24(25,26)27/h2-14H,1H3,(H,30,34)
InChIKeyLIUSWZVGADNXLF-UHFFFAOYSA-N
MW478.43 g/mol
LogP5.19
Rot. Bonds5

About N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide

N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 59175304) has the molecular formula C24H17F3N6O2 and a molecular weight of 478.43 g/mol. Its IUPAC name is N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID59175304
Molecular FormulaC24H17F3N6O2
Molecular Weight478.43 g/mol
Exact Mass478.14
IUPAC NameN-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cccc(Oc2ccc3nc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3n2)c1
InChIInChI=1S/C24H17F3N6O2/c1-32-19(11-12-28-32)16-3-2-4-18(13-16)35-22-10-9-21-29-20(14-33(21)31-22)30-23(34)15-5-7-17(8-6-15)24(25,26)27/h2-14H,1H3,(H,30,34)
InChIKeyLIUSWZVGADNXLF-UHFFFAOYSA-N
XLogP5.19
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide (CID 59175304) is N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide is Cn1nccc1-c1cccc(Oc2ccc3nc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3n2)c1.
What is the InChIKey of N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is LIUSWZVGADNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O2/c1-32-19(11-12-28-32)16-3-2-4-18(13-16)35-22-10-9-21-29-20(14-33(21)31-22)30-23(34)15-5-7-17(8-6-15)24(25,26)27/h2-14H,1H3,(H,30,34).
What are the key properties of N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 478.43 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2-methylpyrazol-3-yl)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 59175304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).