N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide

C22H18N8O2S — CID 66633969

IUPACN-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc3nnc(Sc4cc(NC(=O)C5CC5)c5nccn5n4)n3c2)cn1
InChIInChI=1S/C22H18N8O2S/c1-32-18-7-5-14(11-24-18)15-4-6-17-26-27-22(29(17)12-15)33-19-10-16(25-21(31)13-2-3-13)20-23-8-9-30(20)28-19/h4-13H,2-3H2,1H3,(H,25,31)
InChIKeyPIMMZKHVPSZMLB-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.34
Rot. Bonds6

About N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide

N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide (PubChem CID 66633969) has the molecular formula C22H18N8O2S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide
PubChem CID66633969
Molecular FormulaC22H18N8O2S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc3nnc(Sc4cc(NC(=O)C5CC5)c5nccn5n4)n3c2)cn1
InChIInChI=1S/C22H18N8O2S/c1-32-18-7-5-14(11-24-18)15-4-6-17-26-27-22(29(17)12-15)33-19-10-16(25-21(31)13-2-3-13)20-23-8-9-30(20)28-19/h4-13H,2-3H2,1H3,(H,25,31)
InChIKeyPIMMZKHVPSZMLB-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-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide (CID 66633969) is N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide is COc1ccc(-c2ccc3nnc(Sc4cc(NC(=O)C5CC5)c5nccn5n4)n3c2)cn1.
What is the InChIKey of N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide?
The InChIKey is PIMMZKHVPSZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2S/c1-32-18-7-5-14(11-24-18)15-4-6-17-26-27-22(29(17)12-15)33-19-10-16(25-21(31)13-2-3-13)20-23-8-9-30(20)28-19/h4-13H,2-3H2,1H3,(H,25,31).
What are the key properties of N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide?
N-[6-[[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-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-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-8-yl]cyclopropanecarboxamide is sourced from PubChem (CID 66633969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).