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

C24H26N6O2 — CID 72949844

IUPAC1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc32)CC1
InChIInChI=1S/C24H26N6O2/c1-18(31)29-13-10-28(11-14-29)12-15-30-9-7-19-16-21(3-4-23(19)30)32-24-5-2-20(17-25-24)22-6-8-26-27-22/h2-9,16-17H,10-15H2,1H3,(H,26,27)
InChIKeyHNCQIANMHNFLCL-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.38
Rot. Bonds6

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

1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 72949844) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID72949844
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc32)CC1
InChIInChI=1S/C24H26N6O2/c1-18(31)29-13-10-28(11-14-29)12-15-30-9-7-19-16-21(3-4-23(19)30)32-24-5-2-20(17-25-24)22-6-8-26-27-22/h2-9,16-17H,10-15H2,1H3,(H,26,27)
InChIKeyHNCQIANMHNFLCL-UHFFFAOYSA-N
XLogP3.38
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]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-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone (CID 72949844) is 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCn2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc32)CC1.
What is the InChIKey of 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is HNCQIANMHNFLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-18(31)29-13-10-28(11-14-29)12-15-30-9-7-19-16-21(3-4-23(19)30)32-24-5-2-20(17-25-24)22-6-8-26-27-22/h2-9,16-17H,10-15H2,1H3,(H,26,27).
What are the key properties of 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 430.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]indol-1-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 72949844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).