2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide

C27H28N4O2 — CID 11351174

IUPAC2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C27H28N4O2/c32-27(18-21-8-11-25(12-9-21)33-24-6-2-1-3-7-24)29-23-10-13-26-22(19-23)20-28-31(26)17-16-30-14-4-5-15-30/h1-3,6-13,19-20H,4-5,14-18H2,(H,29,32)
InChIKeyLEPRKUZHTYZWNM-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.11
Rot. Bonds8

About 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide

2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide (PubChem CID 11351174) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
PubChem CID11351174
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
SMILESO=C(Cc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C27H28N4O2/c32-27(18-21-8-11-25(12-9-21)33-24-6-2-1-3-7-24)29-23-10-13-26-22(19-23)20-28-31(26)17-16-30-14-4-5-15-30/h1-3,6-13,19-20H,4-5,14-18H2,(H,29,32)
InChIKeyLEPRKUZHTYZWNM-UHFFFAOYSA-N
XLogP5.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
The IUPAC name of 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide (CID 11351174) is 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
The canonical SMILES for 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide is O=C(Cc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
The InChIKey is LEPRKUZHTYZWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-27(18-21-8-11-25(12-9-21)33-24-6-2-1-3-7-24)29-23-10-13-26-22(19-23)20-28-31(26)17-16-30-14-4-5-15-30/h1-3,6-13,19-20H,4-5,14-18H2,(H,29,32).
What are the key properties of 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide is sourced from PubChem (CID 11351174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).