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

C20H20FN7O — CID 59233220

IUPACN-[6-[[6-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCC(C)(F)c1ccc2nnc(Cc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C20H20FN7O/c1-20(2,21)13-5-7-17-24-25-18(27(17)10-13)9-14-6-8-16-22-15(11-28(16)26-14)23-19(29)12-3-4-12/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,29)
InChIKeyUZUFNKPQHTVQNN-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.92
Rot. Bonds5

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

N-[6-[[6-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233220) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[6-[[6-(2-fluoropropan-2-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-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233220
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC NameN-[6-[[6-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCC(C)(F)c1ccc2nnc(Cc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C20H20FN7O/c1-20(2,21)13-5-7-17-24-25-18(27(17)10-13)9-14-6-8-16-22-15(11-28(16)26-14)23-19(29)12-3-4-12/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,29)
InChIKeyUZUFNKPQHTVQNN-UHFFFAOYSA-N
XLogP2.92
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[[6-(2-fluoropropan-2-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-(2-fluoropropan-2-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-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233220) is N-[6-[[6-(2-fluoropropan-2-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-(2-fluoropropan-2-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-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CC(C)(F)c1ccc2nnc(Cc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.
What is the InChIKey of N-[6-[[6-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is UZUFNKPQHTVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-20(2,21)13-5-7-17-24-25-18(27(17)10-13)9-14-6-8-16-22-15(11-28(16)26-14)23-19(29)12-3-4-12/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,29).
What are the key properties of N-[6-[[6-(2-fluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-(2-fluoropropan-2-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 393.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-(2-fluoropropan-2-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 59233220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).