4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one

C27H28N6O3 — CID 72949137

IUPAC4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C27H28N6O3/c34-27-18-35-14-13-33(27)22-8-11-32(12-9-22)17-21-3-1-19-15-23(4-5-24(19)30-21)36-26-6-2-20(16-28-26)25-7-10-29-31-25/h1-7,10,15-16,22H,8-9,11-14,17-18H2,(H,29,31)
InChIKeyPGINXOUEAFKNBP-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.64
Rot. Bonds6

About 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one

4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one (PubChem CID 72949137) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one
PubChem CID72949137
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one
SMILESO=C1COCCN1C1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1
InChIInChI=1S/C27H28N6O3/c34-27-18-35-14-13-33(27)22-8-11-32(12-9-22)17-21-3-1-19-15-23(4-5-24(19)30-21)36-26-6-2-20(16-28-26)25-7-10-29-31-25/h1-7,10,15-16,22H,8-9,11-14,17-18H2,(H,29,31)
InChIKeyPGINXOUEAFKNBP-UHFFFAOYSA-N
XLogP3.64
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one (CID 72949137) is 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one is O=C1COCCN1C1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.
What is the InChIKey of 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is PGINXOUEAFKNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c34-27-18-35-14-13-33(27)22-8-11-32(12-9-22)17-21-3-1-19-15-23(4-5-24(19)30-21)36-26-6-2-20(16-28-26)25-7-10-29-31-25/h1-7,10,15-16,22H,8-9,11-14,17-18H2,(H,29,31).
What are the key properties of 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one?
4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 484.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 72949137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).