2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

C19H23N7O3 — CID 164914138

IUPAC2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1OCC1CNC1
InChIInChI=1S/C19H23N7O3/c1-12(2)19-15(29-10-13-6-20-7-13)5-18(28)26(24-19)9-17(27)22-14-3-4-16-23-21-11-25(16)8-14/h3-5,8,11-13,20H,6-7,9-10H2,1-2H3,(H,22,27)
InChIKeyOLBXGBRTSUBJMT-UHFFFAOYSA-N
MW397.44 g/mol
LogP0.65
Rot. Bonds7

About 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide

2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (PubChem CID 164914138) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
PubChem CID164914138
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1OCC1CNC1
InChIInChI=1S/C19H23N7O3/c1-12(2)19-15(29-10-13-6-20-7-13)5-18(28)26(24-19)9-17(27)22-14-3-4-16-23-21-11-25(16)8-14/h3-5,8,11-13,20H,6-7,9-10H2,1-2H3,(H,22,27)
InChIKeyOLBXGBRTSUBJMT-UHFFFAOYSA-N
XLogP0.65
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide with MolForge

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 170557212
2-[4-[[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]amino]-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 164914349
2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 164914340
2-[1-oxo-4-propan-2-yl-6-(trifluoromethoxy)phthalazin-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 162364208
2-(5-methyl-6-oxo-4-phenylmethoxy-3-propan-2-ylpyridazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 164914281
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
N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914239
2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-yl)acetamide
CID 164914329
methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate
CID 171417986
[1,2,4]triazolo[4,3-a]pyridin-6-ylcarbamic acid
CID 66623612
2-[4-(dimethylamino)-1-oxo-6-(trifluoromethyl)phthalazin-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 166097067
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide (CID 164914138) is 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is CC(C)c1nn(CC(=O)Nc2ccc3nncn3c2)c(=O)cc1OCC1CNC1.
What is the InChIKey of 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
The InChIKey is OLBXGBRTSUBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-12(2)19-15(29-10-13-6-20-7-13)5-18(28)26(24-19)9-17(27)22-14-3-4-16-23-21-11-25(16)8-14/h3-5,8,11-13,20H,6-7,9-10H2,1-2H3,(H,22,27).
What are the key properties of 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide?
2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide has a molecular weight of 397.44 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-ylmethoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 164914138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).