3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol

C22H21N5O2 — CID 90024796

IUPAC3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol
SMILESCC(c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1)C1(O)CNC1
InChIInChI=1S/C22H21N5O2/c1-14(22(28)12-23-13-22)18-5-2-15-10-17(4-6-19(15)26-18)29-21-7-3-16(11-24-21)20-8-9-25-27-20/h2-11,14,23,28H,12-13H2,1H3,(H,25,27)
InChIKeyJWLDPANCZADXFM-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.25
Rot. Bonds5

About 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol

3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol (PubChem CID 90024796) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol
PubChem CID90024796
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol
SMILESCC(c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1)C1(O)CNC1
InChIInChI=1S/C22H21N5O2/c1-14(22(28)12-23-13-22)18-5-2-15-10-17(4-6-19(15)26-18)29-21-7-3-16(11-24-21)20-8-9-25-27-20/h2-11,14,23,28H,12-13H2,1H3,(H,25,27)
InChIKeyJWLDPANCZADXFM-UHFFFAOYSA-N
XLogP3.25
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol?
The IUPAC name of 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol (CID 90024796) is 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol.
What is the SMILES notation for 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol?
The canonical SMILES for 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol is CC(c1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1)C1(O)CNC1.
What is the InChIKey of 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol?
The InChIKey is JWLDPANCZADXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(22(28)12-23-13-22)18-5-2-15-10-17(4-6-19(15)26-18)29-21-7-3-16(11-24-21)20-8-9-25-27-20/h2-11,14,23,28H,12-13H2,1H3,(H,25,27).
What are the key properties of 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol?
3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol has a molecular weight of 387.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]ethyl]azetidin-3-ol is sourced from PubChem (CID 90024796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).