(5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C19H17N3O — CID 166722415

IUPAC(5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1[nH]nc2ccc(O[C@H]3CCCc4cc(C#N)ccc43)cc12
InChIInChI=1S/C19H17N3O/c1-12-17-10-15(6-8-18(17)22-21-12)23-19-4-2-3-14-9-13(11-20)5-7-16(14)19/h5-10,19H,2-4H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyQEWUVYRFGKBJCM-IBGZPJMESA-N
MW303.37 g/mol
LogP4.20
Rot. Bonds2

About (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 166722415) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID166722415
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1[nH]nc2ccc(O[C@H]3CCCc4cc(C#N)ccc43)cc12
InChIInChI=1S/C19H17N3O/c1-12-17-10-15(6-8-18(17)22-21-12)23-19-4-2-3-14-9-13(11-20)5-7-16(14)19/h5-10,19H,2-4H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyQEWUVYRFGKBJCM-IBGZPJMESA-N
XLogP4.20
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218423
5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25195330
5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218422
N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71682143
Mps1 Inhibitor I
CID 73345836
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
3-(naphthalen-1-ylmethoxy)-1H-indazole
CID 154487473
5-[[3-(methoxymethyl)-1H-indazol-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 25218425
3-(naphthalen-2-ylmethoxy)-1H-indazole
CID 152763229
[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine
CID 166625737
(1R)-1-[(3-methyl-2H-indazol-5-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166722395

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 166722415) is (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is Cc1[nH]nc2ccc(O[C@H]3CCCc4cc(C#N)ccc43)cc12.
What is the InChIKey of (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is QEWUVYRFGKBJCM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-17-10-15(6-8-18(17)22-21-12)23-19-4-2-3-14-9-13(11-20)5-7-16(14)19/h5-10,19H,2-4H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-methyl-2H-indazol-5-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 166722415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).