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

C19H14N8O2S — CID 59233184

IUPACN-[6-[[6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(-c5ncco5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C19H14N8O2S/c28-17(11-1-2-11)22-13-10-27-14(21-13)5-6-16(25-27)30-19-24-23-15-4-3-12(9-26(15)19)18-20-7-8-29-18/h3-11H,1-2H2,(H,22,28)
InChIKeyUMTXKVSOYGZNHW-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.93
Rot. Bonds5

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

N-[6-[[6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233184) has the molecular formula C19H14N8O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[6-[[6-(1,3-oxazol-2-yl)-[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-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233184
Molecular FormulaC19H14N8O2S
Molecular Weight418.44 g/mol
Exact Mass418.10
IUPAC NameN-[6-[[6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(-c5ncco5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C19H14N8O2S/c28-17(11-1-2-11)22-13-10-27-14(21-13)5-6-16(25-27)30-19-24-23-15-4-3-12(9-26(15)19)18-20-7-8-29-18/h3-11H,1-2H2,(H,22,28)
InChIKeyUMTXKVSOYGZNHW-UHFFFAOYSA-N
XLogP2.93
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(1,3-oxazol-2-yl)-[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-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233184) is N-[6-[[6-(1,3-oxazol-2-yl)-[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-(1,3-oxazol-2-yl)-[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-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ncco5)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[[6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is UMTXKVSOYGZNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O2S/c28-17(11-1-2-11)22-13-10-27-14(21-13)5-6-16(25-27)30-19-24-23-15-4-3-12(9-26(15)19)18-20-7-8-29-18/h3-11H,1-2H2,(H,22,28).
What are the key properties of N-[6-[[6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 418.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(1,3-oxazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).