N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C17H12F3N7OS — CID 59233257

IUPACN-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(C(F)(F)F)cn34)ccc2n1)C1CC1
InChIInChI=1S/C17H12F3N7OS/c18-17(19,20)10-3-4-13-23-24-16(26(13)7-10)29-14-6-5-12-21-11(8-27(12)25-14)22-15(28)9-1-2-9/h3-9H,1-2H2,(H,22,28)
InChIKeyLJHQKJFEYKWXTN-UHFFFAOYSA-N
MW419.39 g/mol
LogP3.29
Rot. Bonds4

About N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233257) has the molecular formula C17H12F3N7OS and a molecular weight of 419.39 g/mol. Its IUPAC name is N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233257
Molecular FormulaC17H12F3N7OS
Molecular Weight419.39 g/mol
Exact Mass419.08
IUPAC NameN-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(C(F)(F)F)cn34)ccc2n1)C1CC1
InChIInChI=1S/C17H12F3N7OS/c18-17(19,20)10-3-4-13-23-24-16(26(13)7-10)29-14-6-5-12-21-11(8-27(12)25-14)22-15(28)9-1-2-9/h3-9H,1-2H2,(H,22,28)
InChIKeyLJHQKJFEYKWXTN-UHFFFAOYSA-N
XLogP3.29
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233257) is N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(C(F)(F)F)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is LJHQKJFEYKWXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7OS/c18-17(19,20)10-3-4-13-23-24-16(26(13)7-10)29-14-6-5-12-21-11(8-27(12)25-14)22-15(28)9-1-2-9/h3-9H,1-2H2,(H,22,28).
What are the key properties of N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 419.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).