2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine

C31H23N5O4 — CID 140597832

IUPAC2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine
SMILESCc1cc(-c2cccc(Oc3cccc(Oc4cccc(Oc5cccc(Oc6ccccn6)c5)n4)c3)n2)[nH]n1
InChIInChI=1S/C31H23N5O4/c1-21-18-27(36-35-21)26-12-6-14-29(33-26)38-23-9-5-11-25(20-23)40-31-16-7-15-30(34-31)39-24-10-4-8-22(19-24)37-28-13-2-3-17-32-28/h2-20H,1H3,(H,35,36)
InChIKeyBZTHGKUCNCFSOV-UHFFFAOYSA-N
MW529.56 g/mol
LogP7.74
Rot. Bonds9

About 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine

2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine (PubChem CID 140597832) has the molecular formula C31H23N5O4 and a molecular weight of 529.56 g/mol. Its IUPAC name is 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine.

Molecular Properties

Compound Name2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine
PubChem CID140597832
Molecular FormulaC31H23N5O4
Molecular Weight529.56 g/mol
Exact Mass529.18
IUPAC Name2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine
SMILESCc1cc(-c2cccc(Oc3cccc(Oc4cccc(Oc5cccc(Oc6ccccn6)c5)n4)c3)n2)[nH]n1
InChIInChI=1S/C31H23N5O4/c1-21-18-27(36-35-21)26-12-6-14-29(33-26)38-23-9-5-11-25(20-23)40-31-16-7-15-30(34-31)39-24-10-4-8-22(19-24)37-28-13-2-3-17-32-28/h2-20H,1H3,(H,35,36)
InChIKeyBZTHGKUCNCFSOV-UHFFFAOYSA-N
XLogP7.74
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]-1H-indole
CID 58709121
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
2-(5-methyl-1H-pyrazol-3-yl)-6-pyridin-2-yloxypyridine
CID 140729240
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
ethane;2-phenoxypyridine
CID 90835857
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione
CID 67475111
4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
CID 14458737
2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
CID 140818851

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine?
The IUPAC name of 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine (CID 140597832) is 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine.
What is the SMILES notation for 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine?
The canonical SMILES for 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine is Cc1cc(-c2cccc(Oc3cccc(Oc4cccc(Oc5cccc(Oc6ccccn6)c5)n4)c3)n2)[nH]n1.
What is the InChIKey of 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine?
The InChIKey is BZTHGKUCNCFSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O4/c1-21-18-27(36-35-21)26-12-6-14-29(33-26)38-23-9-5-11-25(20-23)40-31-16-7-15-30(34-31)39-24-10-4-8-22(19-24)37-28-13-2-3-17-32-28/h2-20H,1H3,(H,35,36).
What are the key properties of 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine?
2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine has a molecular weight of 529.56 g/mol, XLogP of 7.74, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine is sourced from PubChem (CID 140597832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).