1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one

C25H26N6O2 — CID 86582965

IUPAC1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C25H26N6O2/c1-2-25(32)31-11-9-30(10-12-31)17-18-13-19-3-5-21(14-23(19)26-15-18)33-24-6-4-20(16-27-24)22-7-8-28-29-22/h3-8,13-16H,2,9-12,17H2,1H3,(H,28,29)
InChIKeyOKCQFTWHXBDEDJ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.87
Rot. Bonds6

About 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one

1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 86582965) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID86582965
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C25H26N6O2/c1-2-25(32)31-11-9-30(10-12-31)17-18-13-19-3-5-21(14-23(19)26-15-18)33-24-6-4-20(16-27-24)22-7-8-28-29-22/h3-8,13-16H,2,9-12,17H2,1H3,(H,28,29)
InChIKeyOKCQFTWHXBDEDJ-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one (CID 86582965) is 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1.
What is the InChIKey of 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is OKCQFTWHXBDEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-2-25(32)31-11-9-30(10-12-31)17-18-13-19-3-5-21(14-23(19)26-15-18)33-24-6-4-20(16-27-24)22-7-8-28-29-22/h3-8,13-16H,2,9-12,17H2,1H3,(H,28,29).
What are the key properties of 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one?
1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 442.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86582965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).