6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile

C27H35N3O2Si — CID 67777901

IUPAC6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile
SMILESCC(C)[Si](Oc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C#N)cc1)(C(C)C)C(C)C
InChIInChI=1S/C27H35N3O2Si/c1-18(2)33(19(3)4,20(5)6)32-23-11-9-22(10-12-23)30-27(16-28)25-14-13-24(15-26(25)29-30)31-17-21-7-8-21/h9-15,18-21H,7-8,17H2,1-6H3
InChIKeyDBYICZAYRIBMGN-UHFFFAOYSA-N
MW461.68 g/mol
LogP7.24
Rot. Bonds9

About 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile

6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile (PubChem CID 67777901) has the molecular formula C27H35N3O2Si and a molecular weight of 461.68 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile
PubChem CID67777901
Molecular FormulaC27H35N3O2Si
Molecular Weight461.68 g/mol
Exact Mass461.25
IUPAC Name6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile
SMILESCC(C)[Si](Oc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C#N)cc1)(C(C)C)C(C)C
InChIInChI=1S/C27H35N3O2Si/c1-18(2)33(19(3)4,20(5)6)32-23-11-9-22(10-12-23)30-27(16-28)25-14-13-24(15-26(25)29-30)31-17-21-7-8-21/h9-15,18-21H,7-8,17H2,1-6H3
InChIKeyDBYICZAYRIBMGN-UHFFFAOYSA-N
XLogP7.24
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.68
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile?
The IUPAC name of 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile (CID 67777901) is 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile is CC(C)[Si](Oc1ccc(-n2nc3cc(OCC4CC4)ccc3c2C#N)cc1)(C(C)C)C(C)C.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile?
The InChIKey is DBYICZAYRIBMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2Si/c1-18(2)33(19(3)4,20(5)6)32-23-11-9-22(10-12-23)30-27(16-28)25-14-13-24(15-26(25)29-30)31-17-21-7-8-21/h9-15,18-21H,7-8,17H2,1-6H3.
What are the key properties of 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile?
6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile has a molecular weight of 461.68 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-[4-tri(propan-2-yl)silyloxyphenyl]indazole-3-carbonitrile is sourced from PubChem (CID 67777901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).