[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane

C26H35IN2O2Si — CID 67778921

IUPAC[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(-n2nc3cc(OCC4CC4)ccc3c2I)cc1)(C(C)C)C(C)C
InChIInChI=1S/C26H35IN2O2Si/c1-17(2)32(18(3)4,19(5)6)31-22-11-9-21(10-12-22)29-26(27)24-14-13-23(15-25(24)28-29)30-16-20-7-8-20/h9-15,17-20H,7-8,16H2,1-6H3
InChIKeyOWTSAZCVRHGSRX-UHFFFAOYSA-N
MW562.57 g/mol
LogP7.97
Rot. Bonds9

About [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane

[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane (PubChem CID 67778921) has the molecular formula C26H35IN2O2Si and a molecular weight of 562.57 g/mol. Its IUPAC name is [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane
PubChem CID67778921
Molecular FormulaC26H35IN2O2Si
Molecular Weight562.57 g/mol
Exact Mass562.15
IUPAC Name[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc(-n2nc3cc(OCC4CC4)ccc3c2I)cc1)(C(C)C)C(C)C
InChIInChI=1S/C26H35IN2O2Si/c1-17(2)32(18(3)4,19(5)6)31-22-11-9-21(10-12-22)29-26(27)24-14-13-23(15-25(24)28-29)30-16-20-7-8-20/h9-15,17-20H,7-8,16H2,1-6H3
InChIKeyOWTSAZCVRHGSRX-UHFFFAOYSA-N
XLogP7.97
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.57
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane (CID 67778921) is [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1ccc(-n2nc3cc(OCC4CC4)ccc3c2I)cc1)(C(C)C)C(C)C.
What is the InChIKey of [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane?
The InChIKey is OWTSAZCVRHGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35IN2O2Si/c1-17(2)32(18(3)4,19(5)6)31-22-11-9-21(10-12-22)29-26(27)24-14-13-23(15-25(24)28-29)30-16-20-7-8-20/h9-15,17-20H,7-8,16H2,1-6H3.
What are the key properties of [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane?
[4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane has a molecular weight of 562.57 g/mol, XLogP of 7.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(cyclopropylmethoxy)-3-iodoindazol-2-yl]phenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 67778921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).