2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine

C40H48N6O2 — CID 118651916

About 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine

2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine (PubChem CID 118651916) has the molecular formula C40H48N6O2 and a molecular weight of 644.86 g/mol. Its IUPAC name is 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine.

Molecular Properties

• Compound Name: 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine
• PubChem CID: 118651916
• Molecular Formula: C40H48N6O2
• Molecular Weight: 644.86 g/mol
• Exact Mass: 644.38
• IUPAC Name: 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine
• SMILES: CCc1nn(C2CCCCO2)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)c(CC)nn5C5CCCCO5)n4)c(C)cc3C)n2)c1C
• InChI: InChI=1S/C40H48N6O2/c1-7-31-27(5)39(45(43-31)37-19-9-11-21-47-37)35-17-13-15-33(41-35)29-24-30(26(4)23-25(29)3)34-16-14-18-36(42-34)40-28(6)32(8-2)44-46(40)38-20-10-12-22-48-38/h13-18,23-24,37-38H,7-12,19-22H2,1-6H3
• InChIKey: YPXYHXCZIHXQDT-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.86
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine?

The IUPAC name of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine (CID 118651916) is 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine.

What is the SMILES notation for 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine?

The canonical SMILES for 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine is CCc1nn(C2CCCCO2)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)c(CC)nn5C5CCCCO5)n4)c(C)cc3C)n2)c1C.

What is the InChIKey of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine?

The InChIKey is YPXYHXCZIHXQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N6O2/c1-7-31-27(5)39(45(43-31)37-19-9-11-21-47-37)35-17-13-15-33(41-35)29-24-30(26(4)23-25(29)3)34-16-14-18-36(42-34)40-28(6)32(8-2)44-46(40)38-20-10-12-22-48-38/h13-18,23-24,37-38H,7-12,19-22H2,1-6H3.

What are the key properties of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine?

2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine has a molecular weight of 644.86 g/mol, XLogP of 9.29, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[5-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]-2,4-dimethylphenyl]pyridine is sourced from PubChem (CID 118651916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).