N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide

C18H13F3N6OS — CID 59175264

IUPACN-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide
SMILESCn1ccnc1Sc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2n1
InChIInChI=1S/C18H13F3N6OS/c1-26-9-8-22-17(26)29-15-7-6-14-23-13(10-27(14)25-15)24-16(28)11-2-4-12(5-3-11)18(19,20)21/h2-10H,1H3,(H,24,28)
InChIKeyKZAZZAUJVDMPEM-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.89
Rot. Bonds4

About N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide

N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 59175264) has the molecular formula C18H13F3N6OS and a molecular weight of 418.40 g/mol. Its IUPAC name is N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID59175264
Molecular FormulaC18H13F3N6OS
Molecular Weight418.40 g/mol
Exact Mass418.08
IUPAC NameN-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide
SMILESCn1ccnc1Sc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2n1
InChIInChI=1S/C18H13F3N6OS/c1-26-9-8-22-17(26)29-15-7-6-14-23-13(10-27(14)25-15)24-16(28)11-2-4-12(5-3-11)18(19,20)21/h2-10H,1H3,(H,24,28)
InChIKeyKZAZZAUJVDMPEM-UHFFFAOYSA-N
XLogP3.89
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide (CID 59175264) is N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide is Cn1ccnc1Sc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2n1.
What is the InChIKey of N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is KZAZZAUJVDMPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6OS/c1-26-9-8-22-17(26)29-15-7-6-14-23-13(10-27(14)25-15)24-16(28)11-2-4-12(5-3-11)18(19,20)21/h2-10H,1H3,(H,24,28).
What are the key properties of N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide?
N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 418.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 59175264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).