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

C21H18N8OS — CID 59233118

IUPACN-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccc3nnc(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)sn1
InChIInChI=1S/C21H18N8OS/c1-12-8-16(31-27-12)14-4-6-19-24-25-20(28(19)10-14)9-15-5-7-18-22-17(11-29(18)26-15)23-21(30)13-2-3-13/h4-8,10-11,13H,2-3,9H2,1H3,(H,23,30)
InChIKeyOAFXAJGVAHDVCQ-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.14
Rot. Bonds5

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

N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233118) has the molecular formula C21H18N8OS and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233118
Molecular FormulaC21H18N8OS
Molecular Weight430.50 g/mol
Exact Mass430.13
IUPAC NameN-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccc3nnc(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)sn1
InChIInChI=1S/C21H18N8OS/c1-12-8-16(31-27-12)14-4-6-19-24-25-20(28(19)10-14)9-15-5-7-18-22-17(11-29(18)26-15)23-21(30)13-2-3-13/h4-8,10-11,13H,2-3,9H2,1H3,(H,23,30)
InChIKeyOAFXAJGVAHDVCQ-UHFFFAOYSA-N
XLogP3.14
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]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-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233118) is N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cc1cc(-c2ccc3nnc(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)sn1.
What is the InChIKey of N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is OAFXAJGVAHDVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8OS/c1-12-8-16(31-27-12)14-4-6-19-24-25-20(28(19)10-14)9-15-5-7-18-22-17(11-29(18)26-15)23-21(30)13-2-3-13/h4-8,10-11,13H,2-3,9H2,1H3,(H,23,30).
What are the key properties of N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 430.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).