ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate

C18H20N4O3 — CID 155528780

IUPACethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2ccc(-c3cc(NC)c(=O)n(C)c3)cc21
InChIInChI=1S/C18H20N4O3/c1-4-25-17(23)11-22-16-8-12(5-6-13(16)9-20-22)14-7-15(19-2)18(24)21(3)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyMVMOQXPEDYFQKZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.01
Rot. Bonds5

About ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate

ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate (PubChem CID 155528780) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate
PubChem CID155528780
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2ccc(-c3cc(NC)c(=O)n(C)c3)cc21
InChIInChI=1S/C18H20N4O3/c1-4-25-17(23)11-22-16-8-12(5-6-13(16)9-20-22)14-7-15(19-2)18(24)21(3)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyMVMOQXPEDYFQKZ-UHFFFAOYSA-N
XLogP2.01
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate?
The IUPAC name of ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate (CID 155528780) is ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate is CCOC(=O)Cn1ncc2ccc(-c3cc(NC)c(=O)n(C)c3)cc21.
What is the InChIKey of ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate?
The InChIKey is MVMOQXPEDYFQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-25-17(23)11-22-16-8-12(5-6-13(16)9-20-22)14-7-15(19-2)18(24)21(3)10-14/h5-10,19H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate?
ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate has a molecular weight of 340.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]indazol-1-yl]acetate is sourced from PubChem (CID 155528780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).