1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile

C18H15N3O — CID 164587417

IUPAC1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc2cn[nH]c2cc1OC1CCc2cc(C#N)ccc21
InChIInChI=1S/C18H15N3O/c1-11-6-14-10-20-21-16(14)8-18(11)22-17-5-3-13-7-12(9-19)2-4-15(13)17/h2,4,6-8,10,17H,3,5H2,1H3,(H,20,21)
InChIKeyGQFFRWSNTORBEQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.81
Rot. Bonds2

About 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile

1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 164587417) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID164587417
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc2cn[nH]c2cc1OC1CCc2cc(C#N)ccc21
InChIInChI=1S/C18H15N3O/c1-11-6-14-10-20-21-16(14)8-18(11)22-17-5-3-13-7-12(9-19)2-4-15(13)17/h2,4,6-8,10,17H,3,5H2,1H3,(H,20,21)
InChIKeyGQFFRWSNTORBEQ-UHFFFAOYSA-N
XLogP3.81
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 164587417) is 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1cc2cn[nH]c2cc1OC1CCc2cc(C#N)ccc21.
What is the InChIKey of 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is GQFFRWSNTORBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-6-14-10-20-21-16(14)8-18(11)22-17-5-3-13-7-12(9-19)2-4-15(13)17/h2,4,6-8,10,17H,3,5H2,1H3,(H,20,21).
What are the key properties of 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 164587417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).