methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate

C20H14N6O2 — CID 118663897

IUPACmethyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C#N)n1
InChIInChI=1S/C20H14N6O2/c1-28-20(27)16-6-12(13-5-14(22)10-23-9-13)7-18-17(16)11-24-26(18)19-4-2-3-15(8-21)25-19/h2-7,9-11H,22H2,1H3
InChIKeyDIQHTGNKNZWMFV-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.72
Rot. Bonds3

About methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate

methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate (PubChem CID 118663897) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate
PubChem CID118663897
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Namemethyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C#N)n1
InChIInChI=1S/C20H14N6O2/c1-28-20(27)16-6-12(13-5-14(22)10-23-9-13)7-18-17(16)11-24-26(18)19-4-2-3-15(8-21)25-19/h2-7,9-11H,22H2,1H3
InChIKeyDIQHTGNKNZWMFV-UHFFFAOYSA-N
XLogP2.72
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
The IUPAC name of methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate (CID 118663897) is methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate.
What is the SMILES notation for methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
The canonical SMILES for methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate is COC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C#N)n1.
What is the InChIKey of methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
The InChIKey is DIQHTGNKNZWMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c1-28-20(27)16-6-12(13-5-14(22)10-23-9-13)7-18-17(16)11-24-26(18)19-4-2-3-15(8-21)25-19/h2-7,9-11H,22H2,1H3.
What are the key properties of methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate?
methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate has a molecular weight of 370.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-amino-3-pyridinyl)-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate is sourced from PubChem (CID 118663897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).