2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide

C22H26N4O2 — CID 11581666

IUPAC2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3cnn(CCN4CCCC4)c3c2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-8-4-17(5-9-20)14-22(27)24-19-7-6-18-16-23-26(21(18)15-19)13-12-25-10-2-3-11-25/h4-9,15-16H,2-3,10-14H2,1H3,(H,24,27)
InChIKeyNTSIHCXEXUYLRB-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.32
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide

2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide (PubChem CID 11581666) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
PubChem CID11581666
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3cnn(CCN4CCCC4)c3c2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-8-4-17(5-9-20)14-22(27)24-19-7-6-18-16-23-26(21(18)15-19)13-12-25-10-2-3-11-25/h4-9,15-16H,2-3,10-14H2,1H3,(H,24,27)
InChIKeyNTSIHCXEXUYLRB-UHFFFAOYSA-N
XLogP3.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide (CID 11581666) is 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide is COc1ccc(CC(=O)Nc2ccc3cnn(CCN4CCCC4)c3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
The InChIKey is NTSIHCXEXUYLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-20-8-4-17(5-9-20)14-22(27)24-19-7-6-18-16-23-26(21(18)15-19)13-12-25-10-2-3-11-25/h4-9,15-16H,2-3,10-14H2,1H3,(H,24,27).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide is sourced from PubChem (CID 11581666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).