1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone

C23H24N6O2 — CID 72948594

IUPAC1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3[nH]2)CC1
InChIInChI=1S/C23H24N6O2/c1-16(30)29-10-8-28(9-11-29)15-19-12-18-13-20(3-4-21(18)26-19)31-23-5-2-17(14-24-23)22-6-7-25-27-22/h2-7,12-14,26H,8-11,15H2,1H3,(H,25,27)
InChIKeyIZCIVWZHDWJIBQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 72948594) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID72948594
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3[nH]2)CC1
InChIInChI=1S/C23H24N6O2/c1-16(30)29-10-8-28(9-11-29)15-19-12-18-13-20(3-4-21(18)26-19)31-23-5-2-17(14-24-23)22-6-7-25-27-22/h2-7,12-14,26H,8-11,15H2,1H3,(H,25,27)
InChIKeyIZCIVWZHDWJIBQ-UHFFFAOYSA-N
XLogP3.41
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone (CID 72948594) is 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3[nH]2)CC1.
What is the InChIKey of 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is IZCIVWZHDWJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16(30)29-10-8-28(9-11-29)15-19-12-18-13-20(3-4-21(18)26-19)31-23-5-2-17(14-24-23)22-6-7-25-27-22/h2-7,12-14,26H,8-11,15H2,1H3,(H,25,27).
What are the key properties of 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 416.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]-1H-indol-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 72948594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).