2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine

C26H24N8 — CID 71277482

IUPAC2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(CC(Cc3cccc(-c4cccc(C)n4)n3)c3nn[nH]n3)n2)n1
InChIInChI=1S/C26H24N8/c1-17-7-3-11-22(27-17)24-13-5-9-20(29-24)15-19(26-31-33-34-32-26)16-21-10-6-14-25(30-21)23-12-4-8-18(2)28-23/h3-14,19H,15-16H2,1-2H3,(H,31,32,33,34)
InChIKeyRWZBXOQOQBGXPB-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.30
Rot. Bonds7

About 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine

2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine (PubChem CID 71277482) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine
PubChem CID71277482
Molecular FormulaC26H24N8
Molecular Weight448.53 g/mol
Exact Mass448.21
IUPAC Name2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(CC(Cc3cccc(-c4cccc(C)n4)n3)c3nn[nH]n3)n2)n1
InChIInChI=1S/C26H24N8/c1-17-7-3-11-22(27-17)24-13-5-9-20(29-24)15-19(26-31-33-34-32-26)16-21-10-6-14-25(30-21)23-12-4-8-18(2)28-23/h3-14,19H,15-16H2,1-2H3,(H,31,32,33,34)
InChIKeyRWZBXOQOQBGXPB-UHFFFAOYSA-N
XLogP4.30
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine (CID 71277482) is 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine is Cc1cccc(-c2cccc(CC(Cc3cccc(-c4cccc(C)n4)n3)c3nn[nH]n3)n2)n1.
What is the InChIKey of 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine?
The InChIKey is RWZBXOQOQBGXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8/c1-17-7-3-11-22(27-17)24-13-5-9-20(29-24)15-19(26-31-33-34-32-26)16-21-10-6-14-25(30-21)23-12-4-8-18(2)28-23/h3-14,19H,15-16H2,1-2H3,(H,31,32,33,34).
What are the key properties of 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine?
2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine has a molecular weight of 448.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-2-(2H-tetrazol-5-yl)propyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 71277482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).