2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine

C25H20N6 — CID 118352518

IUPAC2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine
SMILESCc1cc(-c2ncc(-c3ccn[nH]3)cc2/C=C/c2ccccc2)cnc1-c1ccn[nH]1
InChIInChI=1S/C25H20N6/c1-17-13-21(16-26-24(17)23-10-12-29-31-23)25-19(8-7-18-5-3-2-4-6-18)14-20(15-27-25)22-9-11-28-30-22/h2-16H,1H3,(H,28,30)(H,29,31)/b8-7+
InChIKeyAFMHIJOFBLPIEL-BQYQJAHWSA-N
MW404.48 g/mol
LogP5.40
Rot. Bonds5

About 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine

2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine (PubChem CID 118352518) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine
PubChem CID118352518
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC Name2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine
SMILESCc1cc(-c2ncc(-c3ccn[nH]3)cc2/C=C/c2ccccc2)cnc1-c1ccn[nH]1
InChIInChI=1S/C25H20N6/c1-17-13-21(16-26-24(17)23-10-12-29-31-23)25-19(8-7-18-5-3-2-4-6-18)14-20(15-27-25)22-9-11-28-30-22/h2-16H,1H3,(H,28,30)(H,29,31)/b8-7+
InChIKeyAFMHIJOFBLPIEL-BQYQJAHWSA-N
XLogP5.40
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine (CID 118352518) is 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine is Cc1cc(-c2ncc(-c3ccn[nH]3)cc2/C=C/c2ccccc2)cnc1-c1ccn[nH]1.
What is the InChIKey of 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine?
The InChIKey is AFMHIJOFBLPIEL-BQYQJAHWSA-N. The full InChI is InChI=1S/C25H20N6/c1-17-13-21(16-26-24(17)23-10-12-29-31-23)25-19(8-7-18-5-3-2-4-6-18)14-20(15-27-25)22-9-11-28-30-22/h2-16H,1H3,(H,28,30)(H,29,31)/b8-7+.
What are the key properties of 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine?
2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine has a molecular weight of 404.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(1H-pyrazol-5-yl)-3-pyridinyl]-3-[(E)-2-phenylethenyl]-5-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 118352518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).