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

C25H26N6O2 — CID 90025226

IUPAC2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde
SMILESO=CCN1CCN(CCc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C25H26N6O2/c32-16-15-31-13-11-30(12-14-31)10-8-21-3-1-19-17-22(4-5-23(19)28-21)33-25-6-2-20(18-26-25)24-7-9-27-29-24/h1-7,9,16-18H,8,10-15H2,(H,27,29)
InChIKeyRWQYVNZRKORMEN-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.17
Rot. Bonds8

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

2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde (PubChem CID 90025226) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde
PubChem CID90025226
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde
SMILESO=CCN1CCN(CCc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C25H26N6O2/c32-16-15-31-13-11-30(12-14-31)10-8-21-3-1-19-17-22(4-5-23(19)28-21)33-25-6-2-20(18-26-25)24-7-9-27-29-24/h1-7,9,16-18H,8,10-15H2,(H,27,29)
InChIKeyRWQYVNZRKORMEN-UHFFFAOYSA-N
XLogP3.17
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde (CID 90025226) is 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde is O=CCN1CCN(CCc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.
What is the InChIKey of 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde?
The InChIKey is RWQYVNZRKORMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c32-16-15-31-13-11-30(12-14-31)10-8-21-3-1-19-17-22(4-5-23(19)28-21)33-25-6-2-20(18-26-25)24-7-9-27-29-24/h1-7,9,16-18H,8,10-15H2,(H,27,29).
What are the key properties of 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde?
2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde has a molecular weight of 442.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 90025226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).