3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C26H26N6O3 — CID 87055522

IUPAC3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C26H26N6O3/c33-26-32(11-12-34-26)21-6-9-31(10-7-21)17-18-13-19-1-3-22(14-24(19)27-15-18)35-25-4-2-20(16-28-25)23-5-8-29-30-23/h1-5,8,13-16,21H,6-7,9-12,17H2,(H,29,30)
InChIKeyLMLZGWZOVMFXRY-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.23
Rot. Bonds6

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

3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 87055522) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID87055522
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1
InChIInChI=1S/C26H26N6O3/c33-26-32(11-12-34-26)21-6-9-31(10-7-21)17-18-13-19-1-3-22(14-24(19)27-15-18)35-25-4-2-20(16-28-25)23-5-8-29-30-23/h1-5,8,13-16,21H,6-7,9-12,17H2,(H,29,30)
InChIKeyLMLZGWZOVMFXRY-UHFFFAOYSA-N
XLogP4.23
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 87055522) is 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1.
What is the InChIKey of 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is LMLZGWZOVMFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c33-26-32(11-12-34-26)21-6-9-31(10-7-21)17-18-13-19-1-3-22(14-24(19)27-15-18)35-25-4-2-20(16-28-25)23-5-8-29-30-23/h1-5,8,13-16,21H,6-7,9-12,17H2,(H,29,30).
What are the key properties of 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 470.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[7-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-3-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 87055522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).