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

C20H16N8O2S — CID 59233081

IUPACN-[6-[[6-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(Nc5ccco5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C20H16N8O2S/c29-19(12-3-4-12)23-14-11-28-15(22-14)7-8-18(26-28)31-20-25-24-16-6-5-13(10-27(16)20)21-17-2-1-9-30-17/h1-2,5-12,21H,3-4H2,(H,23,29)
InChIKeyGTUKGOGXPIHTMS-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.61
Rot. Bonds6

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

N-[6-[[6-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233081) has the molecular formula C20H16N8O2S and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[6-[[6-(furan-2-ylamino)-[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-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233081
Molecular FormulaC20H16N8O2S
Molecular Weight432.47 g/mol
Exact Mass432.11
IUPAC NameN-[6-[[6-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(Nc5ccco5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C20H16N8O2S/c29-19(12-3-4-12)23-14-11-28-15(22-14)7-8-18(26-28)31-20-25-24-16-6-5-13(10-27(16)20)21-17-2-1-9-30-17/h1-2,5-12,21H,3-4H2,(H,23,29)
InChIKeyGTUKGOGXPIHTMS-UHFFFAOYSA-N
XLogP3.61
TPSA114.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-(furan-2-ylamino)-[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-(furan-2-ylamino)-[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-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233081) is N-[6-[[6-(furan-2-ylamino)-[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-(furan-2-ylamino)-[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-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(Nc5ccco5)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[[6-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is GTUKGOGXPIHTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O2S/c29-19(12-3-4-12)23-14-11-28-15(22-14)7-8-18(26-28)31-20-25-24-16-6-5-13(10-27(16)20)21-17-2-1-9-30-17/h1-2,5-12,21H,3-4H2,(H,23,29).
What are the key properties of N-[6-[[6-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 432.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(furan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).