N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C22H20N8OS — CID 59233298

IUPACN-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccc3nnc(C(C)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)sn1
InChIInChI=1S/C22H20N8OS/c1-12-9-17(32-28-12)15-5-7-20-25-26-21(29(20)10-15)13(2)16-6-8-19-23-18(11-30(19)27-16)24-22(31)14-3-4-14/h5-11,13-14H,3-4H2,1-2H3,(H,24,31)
InChIKeyGIVNAOPQHBVCGA-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.70
Rot. Bonds5

About N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233298) has the molecular formula C22H20N8OS and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233298
Molecular FormulaC22H20N8OS
Molecular Weight444.52 g/mol
Exact Mass444.15
IUPAC NameN-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccc3nnc(C(C)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)sn1
InChIInChI=1S/C22H20N8OS/c1-12-9-17(32-28-12)15-5-7-20-25-26-21(29(20)10-15)13(2)16-6-8-19-23-18(11-30(19)27-16)24-22(31)14-3-4-14/h5-11,13-14H,3-4H2,1-2H3,(H,24,31)
InChIKeyGIVNAOPQHBVCGA-UHFFFAOYSA-N
XLogP3.70
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]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-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233298) is N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cc1cc(-c2ccc3nnc(C(C)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)sn1.
What is the InChIKey of N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is GIVNAOPQHBVCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8OS/c1-12-9-17(32-28-12)15-5-7-20-25-26-21(29(20)10-15)13(2)16-6-8-19-23-18(11-30(19)27-16)24-22(31)14-3-4-14/h5-11,13-14H,3-4H2,1-2H3,(H,24,31).
What are the key properties of N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 444.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).