methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate

C21H33N3O5 — CID 171417986

IUPACmethyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate
SMILESCOC(=O)CC1(NC(=O)Cn2nc(C(C)C)c(OCC(C)C)cc2=O)CCCC1
InChIInChI=1S/C21H33N3O5/c1-14(2)13-29-16-10-18(26)24(23-20(16)15(3)4)12-17(25)22-21(8-6-7-9-21)11-19(27)28-5/h10,14-15H,6-9,11-13H2,1-5H3,(H,22,25)
InChIKeyQOQYATRZQBJMDV-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.39
Rot. Bonds9

About methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate

methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate (PubChem CID 171417986) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate
PubChem CID171417986
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Namemethyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate
SMILESCOC(=O)CC1(NC(=O)Cn2nc(C(C)C)c(OCC(C)C)cc2=O)CCCC1
InChIInChI=1S/C21H33N3O5/c1-14(2)13-29-16-10-18(26)24(23-20(16)15(3)4)12-17(25)22-21(8-6-7-9-21)11-19(27)28-5/h10,14-15H,6-9,11-13H2,1-5H3,(H,22,25)
InChIKeyQOQYATRZQBJMDV-UHFFFAOYSA-N
XLogP2.39
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate with MolForge

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Related Compounds

methyl 3-[4-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-3-oxopropanoate
CID 164914200
N-(3-fluoro-2-methyl-4-pyridinyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914239
N-(5,5-difluoropent-1-en-2-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 164914142
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
methyl 2-[1-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]cyclohexyl]acetate
CID 75466038
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
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
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
methyl (2R)-2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8653906
methyl 2-[1-(2-aminopropanoylamino)cyclobutyl]acetate;hydrochloride
CID 119333931
N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51100633
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate?
The IUPAC name of methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate (CID 171417986) is methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate is COC(=O)CC1(NC(=O)Cn2nc(C(C)C)c(OCC(C)C)cc2=O)CCCC1.
What is the InChIKey of methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate?
The InChIKey is QOQYATRZQBJMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-14(2)13-29-16-10-18(26)24(23-20(16)15(3)4)12-17(25)22-21(8-6-7-9-21)11-19(27)28-5/h10,14-15H,6-9,11-13H2,1-5H3,(H,22,25).
What are the key properties of methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate?
methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate has a molecular weight of 407.51 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetyl]amino]cyclopentyl]acetate is sourced from PubChem (CID 171417986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).