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

IUPAC2-[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
SMILESCCc1nn(C2CCCCO2)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)c(CC)nn5C5CCCCO5)n4)c(C)cc3C)n2)c1C
InChIInChI=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
InChIKeyYPXYHXCZIHXQDT-UHFFFAOYSA-N
MW644.86 g/mol
LogP9.29
Rot. Bonds8

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 Name2-[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 CID118651916
Molecular FormulaC40H48N6O2
Molecular Weight644.86 g/mol
Exact Mass644.38
IUPAC Name2-[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
SMILESCCc1nn(C2CCCCO2)c(-c2cccc(-c3cc(-c4cccc(-c5c(C)c(CC)nn5C5CCCCO5)n4)c(C)cc3C)n2)c1C
InChIInChI=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
InChIKeyYPXYHXCZIHXQDT-UHFFFAOYSA-N
XLogP9.29
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.86
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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).