2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C27H28N4O — CID 11495553

IUPAC2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCC4CCCCC4)cc3)c2)nc1
InChIInChI=1S/C27H28N4O/c1-2-6-20(7-3-1)14-17-32-23-11-9-21(10-12-23)26-18-22(13-16-29-26)24-19-30-31-27(24)25-8-4-5-15-28-25/h4-5,8-13,15-16,18-20H,1-3,6-7,14,17H2,(H,30,31)
InChIKeyVEZHTNSQYUPFQJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP6.55
Rot. Bonds7

About 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 11495553) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID11495553
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCC4CCCCC4)cc3)c2)nc1
InChIInChI=1S/C27H28N4O/c1-2-6-20(7-3-1)14-17-32-23-11-9-21(10-12-23)26-18-22(13-16-29-26)24-19-30-31-27(24)25-8-4-5-15-28-25/h4-5,8-13,15-16,18-20H,1-3,6-7,14,17H2,(H,30,31)
InChIKeyVEZHTNSQYUPFQJ-UHFFFAOYSA-N
XLogP6.55
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 11495553) is 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCC4CCCCC4)cc3)c2)nc1.
What is the InChIKey of 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is VEZHTNSQYUPFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-2-6-20(7-3-1)14-17-32-23-11-9-21(10-12-23)26-18-22(13-16-29-26)24-19-30-31-27(24)25-8-4-5-15-28-25/h4-5,8-13,15-16,18-20H,1-3,6-7,14,17H2,(H,30,31).
What are the key properties of 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 424.55 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexylethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 11495553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).