1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone

C25H26N6O2 — CID 72948220

IUPAC1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C25H26N6O2/c1-18(32)31-14-12-30(13-15-31)11-9-21-4-2-19-16-22(5-6-23(19)28-21)33-25-7-3-20(17-26-25)24-8-10-27-29-24/h2-8,10,16-17H,9,11-15H2,1H3,(H,27,29)
InChIKeySLRINKLFYSBKAB-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.52
Rot. Bonds6

About 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 72948220) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID72948220
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C25H26N6O2/c1-18(32)31-14-12-30(13-15-31)11-9-21-4-2-19-16-22(5-6-23(19)28-21)33-25-7-3-20(17-26-25)24-8-10-27-29-24/h2-8,10,16-17H,9,11-15H2,1H3,(H,27,29)
InChIKeySLRINKLFYSBKAB-UHFFFAOYSA-N
XLogP3.52
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone (CID 72948220) is 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.
What is the InChIKey of 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is SLRINKLFYSBKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-18(32)31-14-12-30(13-15-31)11-9-21-4-2-19-16-22(5-6-23(19)28-21)33-25-7-3-20(17-26-25)24-8-10-27-29-24/h2-8,10,16-17H,9,11-15H2,1H3,(H,27,29).
What are the key properties of 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 442.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 72948220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).