ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate

C23H20N8O2 — CID 167366749

IUPACethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)nn1
InChIInChI=1S/C23H20N8O2/c1-3-33-22(32)13-31-12-21(28-30-31)15-9-20-18(24-10-15)8-7-17(27-20)16-11-25-29-23(16)19-6-4-5-14(2)26-19/h4-12H,3,13H2,1-2H3,(H,25,29)
InChIKeyVJKBYGLRRVYACO-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.21
Rot. Bonds6

About ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate

ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate (PubChem CID 167366749) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate
PubChem CID167366749
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Nameethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)nn1
InChIInChI=1S/C23H20N8O2/c1-3-33-22(32)13-31-12-21(28-30-31)15-9-20-18(24-10-15)8-7-17(27-20)16-11-25-29-23(16)19-6-4-5-14(2)26-19/h4-12H,3,13H2,1-2H3,(H,25,29)
InChIKeyVJKBYGLRRVYACO-UHFFFAOYSA-N
XLogP3.21
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate (CID 167366749) is ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)nn1.
What is the InChIKey of ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate?
The InChIKey is VJKBYGLRRVYACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-3-33-22(32)13-31-12-21(28-30-31)15-9-20-18(24-10-15)8-7-17(27-20)16-11-25-29-23(16)19-6-4-5-14(2)26-19/h4-12H,3,13H2,1-2H3,(H,25,29).
What are the key properties of ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate?
ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate has a molecular weight of 440.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]acetate is sourced from PubChem (CID 167366749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).