2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C24H27BrN4O3Si — CID 168727968

IUPAC2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(Br)cnc43)ccc21
InChIInChI=1S/C24H27BrN4O3Si/c1-33(2,3)9-8-30-15-29-20-6-5-18(11-19(20)24(28-29)22-13-26-14-31-22)32-21-7-4-16-10-17(25)12-27-23(16)21/h5-6,10-14,21H,4,7-9,15H2,1-3H3
InChIKeySZODEPAZHFOKNB-UHFFFAOYSA-N
MW527.50 g/mol
LogP6.23
Rot. Bonds8

About 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 168727968) has the molecular formula C24H27BrN4O3Si and a molecular weight of 527.50 g/mol. Its IUPAC name is 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID168727968
Molecular FormulaC24H27BrN4O3Si
Molecular Weight527.50 g/mol
Exact Mass526.10
IUPAC Name2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(Br)cnc43)ccc21
InChIInChI=1S/C24H27BrN4O3Si/c1-33(2,3)9-8-30-15-29-20-6-5-18(11-19(20)24(28-29)22-13-26-14-31-22)32-21-7-4-16-10-17(25)12-27-23(16)21/h5-6,10-14,21H,4,7-9,15H2,1-3H3
InChIKeySZODEPAZHFOKNB-UHFFFAOYSA-N
XLogP6.23
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.50
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 168727968) is 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(Br)cnc43)ccc21.
What is the InChIKey of 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SZODEPAZHFOKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3Si/c1-33(2,3)9-8-30-15-29-20-6-5-18(11-19(20)24(28-29)22-13-26-14-31-22)32-21-7-4-16-10-17(25)12-27-23(16)21/h5-6,10-14,21H,4,7-9,15H2,1-3H3.
What are the key properties of 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 527.50 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxy]-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 168727968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).