2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine

C23H19N7 — CID 5241983

IUPAC2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2ccn(Cc3cccc(Cn4ccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C23H19N7/c1-3-12-24-20(8-1)22-10-14-29(27-22)16-18-6-5-7-19(26-18)17-30-15-11-23(28-30)21-9-2-4-13-25-21/h1-15H,16-17H2
InChIKeyHUOJCDJWYZHQNG-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.70
Rot. Bonds6

About 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine

2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine (PubChem CID 5241983) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine
PubChem CID5241983
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2ccn(Cc3cccc(Cn4ccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C23H19N7/c1-3-12-24-20(8-1)22-10-14-29(27-22)16-18-6-5-7-19(26-18)17-30-15-11-23(28-30)21-9-2-4-13-25-21/h1-15H,16-17H2
InChIKeyHUOJCDJWYZHQNG-UHFFFAOYSA-N
XLogP3.70
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine (CID 5241983) is 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine is c1ccc(-c2ccn(Cc3cccc(Cn4ccc(-c5ccccn5)n4)n3)n2)nc1.
What is the InChIKey of 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine?
The InChIKey is HUOJCDJWYZHQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c1-3-12-24-20(8-1)22-10-14-29(27-22)16-18-6-5-7-19(26-18)17-30-15-11-23(28-30)21-9-2-4-13-25-21/h1-15H,16-17H2.
What are the key properties of 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine?
2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine has a molecular weight of 393.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(3-pyridin-2-ylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 5241983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).