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

C21H19N9OS — CID 59233087

IUPACN-[6-[[6-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1C
InChIInChI=1S/C21H19N9OS/c1-12-22-15(10-28(12)2)14-5-6-18-25-26-21(29(18)9-14)32-19-8-7-17-23-16(11-30(17)27-19)24-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,31)
InChIKeyKYZGRFKKCNVVHJ-UHFFFAOYSA-N
MW445.51 g/mol
LogP2.98
Rot. Bonds5

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

N-[6-[[6-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233087) has the molecular formula C21H19N9OS and a molecular weight of 445.51 g/mol. Its IUPAC name is N-[6-[[6-(1,2-dimethylimidazol-4-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-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233087
Molecular FormulaC21H19N9OS
Molecular Weight445.51 g/mol
Exact Mass445.14
IUPAC NameN-[6-[[6-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1C
InChIInChI=1S/C21H19N9OS/c1-12-22-15(10-28(12)2)14-5-6-18-25-26-21(29(18)9-14)32-19-8-7-17-23-16(11-30(17)27-19)24-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,31)
InChIKeyKYZGRFKKCNVVHJ-UHFFFAOYSA-N
XLogP2.98
TPSA107.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-(1,2-dimethylimidazol-4-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-(1,2-dimethylimidazol-4-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-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233087) is N-[6-[[6-(1,2-dimethylimidazol-4-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-(1,2-dimethylimidazol-4-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-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is Cc1nc(-c2ccc3nnc(Sc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1C.
What is the InChIKey of N-[6-[[6-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is KYZGRFKKCNVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9OS/c1-12-22-15(10-28(12)2)14-5-6-18-25-26-21(29(18)9-14)32-19-8-7-17-23-16(11-30(17)27-19)24-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,31).
What are the key properties of N-[6-[[6-(1,2-dimethylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(1,2-dimethylimidazol-4-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 445.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(1,2-dimethylimidazol-4-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 59233087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).