1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one

C23H26N4O2 — CID 155667117

IUPAC1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2c3ccc(-c4ccccc4OC)cc3nn2CC)CC1
InChIInChI=1S/C23H26N4O2/c1-4-22(28)25-12-14-26(15-13-25)23-19-11-10-17(16-20(19)24-27(23)5-2)18-8-6-7-9-21(18)29-3/h4,6-11,16H,1,5,12-15H2,2-3H3
InChIKeyYRVNKMBDUJKUQG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.57
Rot. Bonds5

About 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 155667117) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one
PubChem CID155667117
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2c3ccc(-c4ccccc4OC)cc3nn2CC)CC1
InChIInChI=1S/C23H26N4O2/c1-4-22(28)25-12-14-26(15-13-25)23-19-11-10-17(16-20(19)24-27(23)5-2)18-8-6-7-9-21(18)29-3/h4,6-11,16H,1,5,12-15H2,2-3H3
InChIKeyYRVNKMBDUJKUQG-UHFFFAOYSA-N
XLogP3.57
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one (CID 155667117) is 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2c3ccc(-c4ccccc4OC)cc3nn2CC)CC1.
What is the InChIKey of 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is YRVNKMBDUJKUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-22(28)25-12-14-26(15-13-25)23-19-11-10-17(16-20(19)24-27(23)5-2)18-8-6-7-9-21(18)29-3/h4,6-11,16H,1,5,12-15H2,2-3H3.
What are the key properties of 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one?
1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 155667117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).