2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine

C28H20N6 — CID 5241981

IUPAC2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine
SMILESc1ccc(-c2ccn(-c3ccc(-c4ccc(-n5ccc(-c6ccccn6)n5)cc4)cc3)n2)nc1
InChIInChI=1S/C28H20N6/c1-3-17-29-25(5-1)27-15-19-33(31-27)23-11-7-21(8-12-23)22-9-13-24(14-10-22)34-20-16-28(32-34)26-6-2-4-18-30-26/h1-20H
InChIKeyIQFWDTKWNVAQNZ-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.85
Rot. Bonds5

About 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine

2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine (PubChem CID 5241981) has the molecular formula C28H20N6 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine
PubChem CID5241981
Molecular FormulaC28H20N6
Molecular Weight440.51 g/mol
Exact Mass440.17
IUPAC Name2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine
SMILESc1ccc(-c2ccn(-c3ccc(-c4ccc(-n5ccc(-c6ccccn6)n5)cc4)cc3)n2)nc1
InChIInChI=1S/C28H20N6/c1-3-17-29-25(5-1)27-15-19-33(31-27)23-11-7-21(8-12-23)22-9-13-24(14-10-22)34-20-16-28(32-34)26-6-2-4-18-30-26/h1-20H
InChIKeyIQFWDTKWNVAQNZ-UHFFFAOYSA-N
XLogP5.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine (CID 5241981) is 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine is c1ccc(-c2ccn(-c3ccc(-c4ccc(-n5ccc(-c6ccccn6)n5)cc4)cc3)n2)nc1.
What is the InChIKey of 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine?
The InChIKey is IQFWDTKWNVAQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N6/c1-3-17-29-25(5-1)27-15-19-33(31-27)23-11-7-21(8-12-23)22-9-13-24(14-10-22)34-20-16-28(32-34)26-6-2-4-18-30-26/h1-20H.
What are the key properties of 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine?
2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine has a molecular weight of 440.51 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 5241981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).