ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate

C21H23N5O5 — CID 168980050

IUPACethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)Cn2nc(C(C)C)c3oc(C4CC4)cc3c2=O)nc1
InChIInChI=1S/C21H23N5O5/c1-4-30-20(29)13-8-22-21(23-9-13)24-16(27)10-26-19(28)14-7-15(12-5-6-12)31-18(14)17(25-26)11(2)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,22,23,24,27)
InChIKeyWXZSBLNPZULFOH-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.60
Rot. Bonds7

About ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate

ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate (PubChem CID 168980050) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate
PubChem CID168980050
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Nameethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)Cn2nc(C(C)C)c3oc(C4CC4)cc3c2=O)nc1
InChIInChI=1S/C21H23N5O5/c1-4-30-20(29)13-8-22-21(23-9-13)24-16(27)10-26-19(28)14-7-15(12-5-6-12)31-18(14)17(25-26)11(2)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,22,23,24,27)
InChIKeyWXZSBLNPZULFOH-UHFFFAOYSA-N
XLogP2.60
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-(5-methylpyrimidin-2-yl)acetamide
CID 168980097
N-(5-chloropyrimidin-2-yl)-2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)acetamide
CID 168980094
2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
ethyl 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetate
CID 162363975
2-(2-cyclopropyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
CID 172632649
2-(2-ethyl-7-methyl-4-oxofuro[2,3-d]pyridazin-5-yl)-N-pyrimidin-2-ylacetamide
CID 168979973
2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
CID 168980033
2-(2-bromo-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)-N-(N'-ethenyl-N-methylidenecarbamimidoyl)acetamide
CID 168979852
2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
CID 176648399
N-(7-methylpurin-2-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363740
ethyl 2-[[2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]benzoate
CID 16846967
2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 176648400

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate (CID 168980050) is ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC(=O)Cn2nc(C(C)C)c3oc(C4CC4)cc3c2=O)nc1.
What is the InChIKey of ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate?
The InChIKey is WXZSBLNPZULFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-4-30-20(29)13-8-22-21(23-9-13)24-16(27)10-26-19(28)14-7-15(12-5-6-12)31-18(14)17(25-26)11(2)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,22,23,24,27).
What are the key properties of ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate?
ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate has a molecular weight of 425.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-cyclopropyl-4-oxo-7-propan-2-ylfuro[2,3-d]pyridazin-5-yl)acetyl]amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 168980050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).