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

C22H18N8O2S — CID 59233243

IUPACN-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOc1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)ccn1
InChIInChI=1S/C22H18N8O2S/c1-32-19-10-14(8-9-23-19)15-4-5-18-26-27-22(29(18)11-15)33-20-7-6-17-24-16(12-30(17)28-20)25-21(31)13-2-3-13/h4-13H,2-3H2,1H3,(H,25,31)
InChIKeyAFEAHJIGSSKTKG-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.34
Rot. Bonds6

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

N-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233243) has the molecular formula C22H18N8O2S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[6-[[6-(2-methoxy-4-pyridinyl)-[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-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233243
Molecular FormulaC22H18N8O2S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOc1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)ccn1
InChIInChI=1S/C22H18N8O2S/c1-32-19-10-14(8-9-23-19)15-4-5-18-26-27-22(29(18)11-15)33-20-7-6-17-24-16(12-30(17)28-20)25-21(31)13-2-3-13/h4-13H,2-3H2,1H3,(H,25,31)
InChIKeyAFEAHJIGSSKTKG-UHFFFAOYSA-N
XLogP3.34
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-(2-methoxy-4-pyridinyl)-[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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Related Compounds

1-[2-[2-(2-Fluoroethyl)tetrazol-5-yl]ethyl]-3-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]urea
CID 25176429
N-[6-[difluoro-[6-(6-methoxypyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233122
N-[6-[difluoro-[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233264
N-[6-[difluoro-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233296
4-fluoro-N-[6-(6-methoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]oxane-4-carboxamide
CID 176120784
1-[2-(2-Isopropyl-2H-tetrazol-5-yl)-ethyl]-3-[6-(6-methoxy-pyridin-3-yl)-imidazo[1,2-a]pyridin-2-yl]-urea
CID 25176428
N-[8-[2-(pyridin-3-ylmethoxy)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44624254
N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233006
N-(6-(6-((2-methoxyethoxy)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3-ylthio)imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
CID 59233008
N-[6-[[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233010
N-[6-[1-[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233041
N-[6-[(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233062

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(2-methoxy-4-pyridinyl)-[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-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233243) is N-[6-[[6-(2-methoxy-4-pyridinyl)-[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-(2-methoxy-4-pyridinyl)-[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-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is COc1cc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)ccn1.
What is the InChIKey of N-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is AFEAHJIGSSKTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2S/c1-32-19-10-14(8-9-23-19)15-4-5-18-26-27-22(29(18)11-15)33-20-7-6-17-24-16(12-30(17)28-20)25-21(31)13-2-3-13/h4-13H,2-3H2,1H3,(H,25,31).
What are the key properties of N-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 458.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).