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

C19H19N7O2S — CID 163219359

IUPAC2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-7-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccn3ccnc3n2)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)21-12-5-7-25-8-6-20-19(25)22-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22,27)
InChIKeyBUZPEAWHULPRLJ-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-7-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-7-ylacetamide (PubChem CID 163219359) 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-7-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-7-ylacetamide
PubChem CID163219359
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-7-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccn3ccnc3n2)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)21-12-5-7-25-8-6-20-19(25)22-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22,27)
InChIKeyBUZPEAWHULPRLJ-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

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

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Related Compounds

2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 163219305
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide
CID 163219352
2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 163219297
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-imidazo[1,2-a]pyridin-6-ylacetamide
CID 166803518
2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
CID 176648399
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 171417993
2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
CID 156890271
2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 162364047
N-cyclopentyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840085
2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
CID 168980033
N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 170370128

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-7-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-7-ylacetamide (CID 163219359) 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-7-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-7-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-7-ylacetamide is CC(C)c1nn(CC(=O)Nc2ccn3ccnc3n2)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-7-ylacetamide?
The InChIKey is BUZPEAWHULPRLJ-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)21-12-5-7-25-8-6-20-19(25)22-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22,27).
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-7-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-7-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-7-ylacetamide is sourced from PubChem (CID 163219359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).