3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile

C26H20N6O2 — CID 159252837

IUPAC3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
SMILESCOc1cncc(-c2ccc3c(C(=O)Cc4cnn(Cc5cccc(C#N)c5)c4)n[nH]c3c2)c1
InChIInChI=1S/C26H20N6O2/c1-34-22-9-21(13-28-14-22)20-5-6-23-24(10-20)30-31-26(23)25(33)8-19-12-29-32(16-19)15-18-4-2-3-17(7-18)11-27/h2-7,9-10,12-14,16H,8,15H2,1H3,(H,30,31)
InChIKeyKVNDDLOLRKYRJU-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.18
Rot. Bonds7

About 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile

3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile (PubChem CID 159252837) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
PubChem CID159252837
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
SMILESCOc1cncc(-c2ccc3c(C(=O)Cc4cnn(Cc5cccc(C#N)c5)c4)n[nH]c3c2)c1
InChIInChI=1S/C26H20N6O2/c1-34-22-9-21(13-28-14-22)20-5-6-23-24(10-20)30-31-26(23)25(33)8-19-12-29-32(16-19)15-18-4-2-3-17(7-18)11-27/h2-7,9-10,12-14,16H,8,15H2,1H3,(H,30,31)
InChIKeyKVNDDLOLRKYRJU-UHFFFAOYSA-N
XLogP4.18
TPSA109.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

3-[[4-[2-oxo-2-(6-pyridin-3-yl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
CID 158185027
3-[[4-[2-oxo-2-(6-phenyl-1H-indazol-3-yl)ethyl]pyrazol-1-yl]methyl]benzonitrile
CID 152937093
3-[[4-[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 162127179
2-[1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
CID 157101195
6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259500
2-[1-(2-ethylbutyl)pyrazol-4-yl]-1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]ethanone
CID 159337628
3-[(4-ethylpyrazol-1-yl)methyl]benzonitrile
CID 130219655
N-[1-[(3-cyano-5-methylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 123936431
2-[1-[[3-(2-cyclobutylethyl)phenyl]methyl]pyrazol-4-yl]-1-(1H-indazol-3-yl)ethanone
CID 158480844
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
N-[1-[2-[2-methoxyethyl(methyl)amino]-1-pyridin-3-ylethyl]pyrazol-4-yl]-6-(5-methoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 71267252
6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267328

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile (CID 159252837) is 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile is COc1cncc(-c2ccc3c(C(=O)Cc4cnn(Cc5cccc(C#N)c5)c4)n[nH]c3c2)c1.
What is the InChIKey of 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
The InChIKey is KVNDDLOLRKYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c1-34-22-9-21(13-28-14-22)20-5-6-23-24(10-20)30-31-26(23)25(33)8-19-12-29-32(16-19)15-18-4-2-3-17(7-18)11-27/h2-7,9-10,12-14,16H,8,15H2,1H3,(H,30,31).
What are the key properties of 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile?
3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile has a molecular weight of 448.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[6-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 159252837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).