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

C18H15N3O — CID 166722395

IUPAC(1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1[nH]nc2ccc(O[C@@H]3CCc4cc(C#N)ccc43)cc12
InChIInChI=1S/C18H15N3O/c1-11-16-9-14(4-6-17(16)21-20-11)22-18-7-3-13-8-12(10-19)2-5-15(13)18/h2,4-6,8-9,18H,3,7H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyCSAMCNRSDAXVFM-GOSISDBHSA-N
MW289.34 g/mol
LogP3.81
Rot. Bonds2

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

(1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 166722395) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID166722395
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name(1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1[nH]nc2ccc(O[C@@H]3CCc4cc(C#N)ccc43)cc12
InChIInChI=1S/C18H15N3O/c1-11-16-9-14(4-6-17(16)21-20-11)22-18-7-3-13-8-12(10-19)2-5-15(13)18/h2,4-6,8-9,18H,3,7H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyCSAMCNRSDAXVFM-GOSISDBHSA-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 (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 166722395) is (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1[nH]nc2ccc(O[C@@H]3CCc4cc(C#N)ccc43)cc12.
What is the InChIKey of (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is CSAMCNRSDAXVFM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-16-9-14(4-6-17(16)21-20-11)22-18-7-3-13-8-12(10-19)2-5-15(13)18/h2,4-6,8-9,18H,3,7H2,1H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
(1R)-1-[(3-methyl-2H-indazol-5-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 (1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 166722395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).