4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile

C23H21N5O — CID 22607558

IUPAC4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile
SMILESCc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(C#N)cc4)c3)cc12
InChIInChI=1S/C23H21N5O/c1-15-22-10-18(6-7-23(22)28-27-15)19-9-21(13-26-12-19)29-14-20(25)8-16-2-4-17(11-24)5-3-16/h2-7,9-10,12-13,20H,8,14,25H2,1H3,(H,27,28)
InChIKeyYSILFBAHSPALKY-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.75
Rot. Bonds6

About 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile

4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile (PubChem CID 22607558) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile.

Molecular Properties

Compound Name4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile
PubChem CID22607558
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile
SMILESCc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(C#N)cc4)c3)cc12
InChIInChI=1S/C23H21N5O/c1-15-22-10-18(6-7-23(22)28-27-15)19-9-21(13-26-12-19)29-14-20(25)8-16-2-4-17(11-24)5-3-16/h2-7,9-10,12-13,20H,8,14,25H2,1H3,(H,27,28)
InChIKeyYSILFBAHSPALKY-UHFFFAOYSA-N
XLogP3.75
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile?
The IUPAC name of 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile (CID 22607558) is 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile.
What is the SMILES notation for 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile?
The canonical SMILES for 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile is Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4ccc(C#N)cc4)c3)cc12.
What is the InChIKey of 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile?
The InChIKey is YSILFBAHSPALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-22-10-18(6-7-23(22)28-27-15)19-9-21(13-26-12-19)29-14-20(25)8-16-2-4-17(11-24)5-3-16/h2-7,9-10,12-13,20H,8,14,25H2,1H3,(H,27,28).
What are the key properties of 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile?
4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile has a molecular weight of 383.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propyl]benzonitrile is sourced from PubChem (CID 22607558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).