5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C44H38N10O2 — CID 164587301

IUPAC5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1cc2cnn(-c3cn[nH]c3)c2cc1OC1CCCc2cc(C#N)ccc21.Cc1cc2cnn(-c3cn[nH]c3)c2cc1O[C@H]1CCCc2cc(C#N)ccc21
InChIInChI=1S/2C22H19N5O/c2*1-14-7-17-11-26-27(18-12-24-25-13-18)20(17)9-22(14)28-21-4-2-3-16-8-15(10-23)5-6-19(16)21/h2*5-9,11-13,21H,2-4H2,1H3,(H,24,25)/t21-;/m0./s1
InChIKeyXOZRLNQXVVKBNJ-BOXHHOBZSA-N
MW738.86 g/mol
LogP8.77
Rot. Bonds6

About 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 164587301) has the molecular formula C44H38N10O2 and a molecular weight of 738.86 g/mol. Its IUPAC name is 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID164587301
Molecular FormulaC44H38N10O2
Molecular Weight738.86 g/mol
Exact Mass738.32
IUPAC Name5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1cc2cnn(-c3cn[nH]c3)c2cc1OC1CCCc2cc(C#N)ccc21.Cc1cc2cnn(-c3cn[nH]c3)c2cc1O[C@H]1CCCc2cc(C#N)ccc21
InChIInChI=1S/2C22H19N5O/c2*1-14-7-17-11-26-27(18-12-24-25-13-18)20(17)9-22(14)28-21-4-2-3-16-8-15(10-23)5-6-19(16)21/h2*5-9,11-13,21H,2-4H2,1H3,(H,24,25)/t21-;/m0./s1
InChIKeyXOZRLNQXVVKBNJ-BOXHHOBZSA-N
XLogP8.77
TPSA159.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.86
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile with MolForge

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Related Compounds

5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586983
1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 164587417
(5S)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586904
1-(1H-pyrazol-4-yl)indazole-5-carbonitrile
CID 175755944
5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-1-methylsulfonyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 172712891
5-[1-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 172846982
5-[1-[1-(oxetan-3-yl)pyrazol-4-yl]indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586956
5-[1-(1-benzylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587049
(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 164587504
8-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172792472
7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
CID 172702526
(5S)-1-fluoro-5-[4-methanimidoyl-2-methyl-5-[(1-methylpyrazol-4-yl)amino]phenoxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587075

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 164587301) is 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is Cc1cc2cnn(-c3cn[nH]c3)c2cc1OC1CCCc2cc(C#N)ccc21.Cc1cc2cnn(-c3cn[nH]c3)c2cc1O[C@H]1CCCc2cc(C#N)ccc21.
What is the InChIKey of 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is XOZRLNQXVVKBNJ-BOXHHOBZSA-N. The full InChI is InChI=1S/2C22H19N5O/c2*1-14-7-17-11-26-27(18-12-24-25-13-18)20(17)9-22(14)28-21-4-2-3-16-8-15(10-23)5-6-19(16)21/h2*5-9,11-13,21H,2-4H2,1H3,(H,24,25)/t21-;/m0./s1.
What are the key properties of 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 738.86 g/mol, XLogP of 8.77, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 164587301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).