1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone

C51H53N13O4Si — CID 158561984

IUPAC1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone
SMILESC[Si](C)(C)CCOCn1nc(C(=O)Cc2cn[nH]c2)c2ccc(-c3cnn(C4CCCCO4)c3)cc21.O=C(Cc1cnn(Cc2cccc3cccnc23)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C26H34N6O3Si.C25H19N7O/c1-36(2,3)11-10-34-18-32-23-13-20(21-16-29-31(17-21)25-6-4-5-9-35-25)7-8-22(23)26(30-32)24(33)12-19-14-27-28-15-19;33-23(25-21-7-6-18(10-22(21)30-31-25)20-12-27-28-13-20)9-16-11-29-32(14-16)15-19-4-1-3-17-5-2-8-26-24(17)19/h7-8,13-17,25H,4-6,9-12,18H2,1-3H3,(H,27,28);1-8,10-14H,9,15H2,(H,27,28)(H,30,31)
InChIKeyHQZPBWOFUNGUCX-UHFFFAOYSA-N
MW940.16 g/mol
LogP9.23
Rot. Bonds16

About 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone

1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone (PubChem CID 158561984) has the molecular formula C51H53N13O4Si and a molecular weight of 940.16 g/mol. Its IUPAC name is 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone
PubChem CID158561984
Molecular FormulaC51H53N13O4Si
Molecular Weight940.16 g/mol
Exact Mass939.41
IUPAC Name1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone
SMILESC[Si](C)(C)CCOCn1nc(C(=O)Cc2cn[nH]c2)c2ccc(-c3cnn(C4CCCCO4)c3)cc21.O=C(Cc1cnn(Cc2cccc3cccnc23)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C26H34N6O3Si.C25H19N7O/c1-36(2,3)11-10-34-18-32-23-13-20(21-16-29-31(17-21)25-6-4-5-9-35-25)7-8-22(23)26(30-32)24(33)12-19-14-27-28-15-19;33-23(25-21-7-6-18(10-22(21)30-31-25)20-12-27-28-13-20)9-16-11-29-32(14-16)15-19-4-1-3-17-5-2-8-26-24(17)19/h7-8,13-17,25H,4-6,9-12,18H2,1-3H3,(H,27,28);1-8,10-14H,9,15H2,(H,27,28)(H,30,31)
InChIKeyHQZPBWOFUNGUCX-UHFFFAOYSA-N
XLogP9.23
TPSA204.99 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.16
LogP ≤ 59.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone (CID 158561984) is 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone is C[Si](C)(C)CCOCn1nc(C(=O)Cc2cn[nH]c2)c2ccc(-c3cnn(C4CCCCO4)c3)cc21.O=C(Cc1cnn(Cc2cccc3cccnc23)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone?
The InChIKey is HQZPBWOFUNGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3Si.C25H19N7O/c1-36(2,3)11-10-34-18-32-23-13-20(21-16-29-31(17-21)25-6-4-5-9-35-25)7-8-22(23)26(30-32)24(33)12-19-14-27-28-15-19;33-23(25-21-7-6-18(10-22(21)30-31-25)20-12-27-28-13-20)9-16-11-29-32(14-16)15-19-4-1-3-17-5-2-8-26-24(17)19/h7-8,13-17,25H,4-6,9-12,18H2,1-3H3,(H,27,28);1-8,10-14H,9,15H2,(H,27,28)(H,30,31).
What are the key properties of 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone?
1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone has a molecular weight of 940.16 g/mol, XLogP of 9.23, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 158561984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).