methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate

C24H21N3O3 — CID 166044917

IUPACmethyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate
SMILESCOC(=O)Cn1ncc2cc(OCCn3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C24H21N3O3/c1-29-24(28)16-27-21-11-10-18(14-17(21)15-25-27)30-13-12-26-22-8-4-2-6-19(22)20-7-3-5-9-23(20)26/h2-11,14-15H,12-13,16H2,1H3
InChIKeyNACYJXMNISIRSU-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.40
Rot. Bonds6

About methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate

methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate (PubChem CID 166044917) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate
PubChem CID166044917
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Namemethyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate
SMILESCOC(=O)Cn1ncc2cc(OCCn3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C24H21N3O3/c1-29-24(28)16-27-21-11-10-18(14-17(21)15-25-27)30-13-12-26-22-8-4-2-6-19(22)20-7-3-5-9-23(20)26/h2-11,14-15H,12-13,16H2,1H3
InChIKeyNACYJXMNISIRSU-UHFFFAOYSA-N
XLogP4.40
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate (CID 166044917) is methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate is COC(=O)Cn1ncc2cc(OCCn3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate?
The InChIKey is NACYJXMNISIRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-24(28)16-27-21-11-10-18(14-17(21)15-25-27)30-13-12-26-22-8-4-2-6-19(22)20-7-3-5-9-23(20)26/h2-11,14-15H,12-13,16H2,1H3.
What are the key properties of methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate?
methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate has a molecular weight of 399.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-carbazol-9-ylethoxy)indazol-1-yl]acetate is sourced from PubChem (CID 166044917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).