2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide

C19H19N7O2S — CID 163219287

IUPAC2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2cnc3nccn3c2)c(=O)c2sc(C3CC3)nc12
InChIInChI=1S/C19H19N7O2S/c1-10(2)14-15-16(29-17(23-15)11-3-4-11)18(28)26(24-14)9-13(27)22-12-7-21-19-20-5-6-25(19)8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,27)
InChIKeyICIJCHXCGPYLBI-UHFFFAOYSA-N
MW409.48 g/mol
LogP2.54
Rot. Bonds5

About 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide

2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide (PubChem CID 163219287) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide
PubChem CID163219287
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2cnc3nccn3c2)c(=O)c2sc(C3CC3)nc12
InChIInChI=1S/C19H19N7O2S/c1-10(2)14-15-16(29-17(23-15)11-3-4-11)18(28)26(24-14)9-13(27)22-12-7-21-19-20-5-6-25(19)8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,27)
InChIKeyICIJCHXCGPYLBI-UHFFFAOYSA-N
XLogP2.54
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide?
The IUPAC name of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide (CID 163219287) is 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide.
What is the SMILES notation for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide?
The canonical SMILES for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide is CC(C)c1nn(CC(=O)Nc2cnc3nccn3c2)c(=O)c2sc(C3CC3)nc12.
What is the InChIKey of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide?
The InChIKey is ICIJCHXCGPYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-10(2)14-15-16(29-17(23-15)11-3-4-11)18(28)26(24-14)9-13(27)22-12-7-21-19-20-5-6-25(19)8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,27).
What are the key properties of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide?
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide has a molecular weight of 409.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-6-ylacetamide is sourced from PubChem (CID 163219287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).