5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile

C20H15N5O — CID 166551339

IUPAC5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESCOc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1
InChIInChI=1S/C20H15N5O/c1-26-16-3-5-18(14(10-16)12-21)23-15-2-4-19-17(11-15)20(25-24-19)13-6-8-22-9-7-13/h2-11,23H,1H3,(H,24,25)
InChIKeyOTKCOAYOWHQGDN-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.25
Rot. Bonds4

About 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile

5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (PubChem CID 166551339) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
PubChem CID166551339
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
SMILESCOc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1
InChIInChI=1S/C20H15N5O/c1-26-16-3-5-18(14(10-16)12-21)23-15-2-4-19-17(11-15)20(25-24-19)13-6-8-22-9-7-13/h2-11,23H,1H3,(H,24,25)
InChIKeyOTKCOAYOWHQGDN-UHFFFAOYSA-N
XLogP4.25
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The IUPAC name of 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile (CID 166551339) is 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The canonical SMILES for 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is COc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(C#N)c1.
What is the InChIKey of 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
The InChIKey is OTKCOAYOWHQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-26-16-3-5-18(14(10-16)12-21)23-15-2-4-19-17(11-15)20(25-24-19)13-6-8-22-9-7-13/h2-11,23H,1H3,(H,24,25).
What are the key properties of 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile?
5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile has a molecular weight of 341.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 166551339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).