5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine

C28H22N8 — CID 102517782

IUPAC5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2ccn(Cc3ccc(-c4ccc(Cn5ccc(-c6ccccn6)n5)cn4)nc3)n2)nc1
InChIInChI=1S/C28H22N8/c1-3-13-29-23(5-1)27-11-15-35(33-27)19-21-7-9-25(31-17-21)26-10-8-22(18-32-26)20-36-16-12-28(34-36)24-6-2-4-14-30-24/h1-18H,19-20H2
InChIKeyOIMHGWXTJSYFFI-UHFFFAOYSA-N
MW470.54 g/mol
LogP4.76
Rot. Bonds7

About 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine

5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine (PubChem CID 102517782) has the molecular formula C28H22N8 and a molecular weight of 470.54 g/mol. Its IUPAC name is 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine
PubChem CID102517782
Molecular FormulaC28H22N8
Molecular Weight470.54 g/mol
Exact Mass470.20
IUPAC Name5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine
SMILESc1ccc(-c2ccn(Cc3ccc(-c4ccc(Cn5ccc(-c6ccccn6)n5)cn4)nc3)n2)nc1
InChIInChI=1S/C28H22N8/c1-3-13-29-23(5-1)27-11-15-35(33-27)19-21-7-9-25(31-17-21)26-10-8-22(18-32-26)20-36-16-12-28(34-36)24-6-2-4-14-30-24/h1-18H,19-20H2
InChIKeyOIMHGWXTJSYFFI-UHFFFAOYSA-N
XLogP4.76
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine (CID 102517782) is 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine is c1ccc(-c2ccn(Cc3ccc(-c4ccc(Cn5ccc(-c6ccccn6)n5)cn4)nc3)n2)nc1.
What is the InChIKey of 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine?
The InChIKey is OIMHGWXTJSYFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N8/c1-3-13-29-23(5-1)27-11-15-35(33-27)19-21-7-9-25(31-17-21)26-10-8-22(18-32-26)20-36-16-12-28(34-36)24-6-2-4-14-30-24/h1-18H,19-20H2.
What are the key properties of 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine?
5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine has a molecular weight of 470.54 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-[5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 102517782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).