2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine

C28H31N3O — CID 134492428

IUPAC2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine
SMILESCOc1ncc(-c2cc(-c3ccnn3C)cc(C(C)C)c2)cc1-c1cccc(C(C)C)c1
InChIInChI=1S/C28H31N3O/c1-18(2)20-8-7-9-21(12-20)26-16-25(17-29-28(26)32-6)23-13-22(19(3)4)14-24(15-23)27-10-11-30-31(27)5/h7-19H,1-6H3
InChIKeyDPLLLCXWFYYHIY-UHFFFAOYSA-N
MW425.58 g/mol
LogP7.07
Rot. Bonds6

About 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine

2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine (PubChem CID 134492428) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine
PubChem CID134492428
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine
SMILESCOc1ncc(-c2cc(-c3ccnn3C)cc(C(C)C)c2)cc1-c1cccc(C(C)C)c1
InChIInChI=1S/C28H31N3O/c1-18(2)20-8-7-9-21(12-20)26-16-25(17-29-28(26)32-6)23-13-22(19(3)4)14-24(15-23)27-10-11-30-31(27)5/h7-19H,1-6H3
InChIKeyDPLLLCXWFYYHIY-UHFFFAOYSA-N
XLogP7.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine?
The IUPAC name of 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine (CID 134492428) is 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine?
The canonical SMILES for 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine is COc1ncc(-c2cc(-c3ccnn3C)cc(C(C)C)c2)cc1-c1cccc(C(C)C)c1.
What is the InChIKey of 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine?
The InChIKey is DPLLLCXWFYYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-18(2)20-8-7-9-21(12-20)26-16-25(17-29-28(26)32-6)23-13-22(19(3)4)14-24(15-23)27-10-11-30-31(27)5/h7-19H,1-6H3.
What are the key properties of 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine?
2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine has a molecular weight of 425.58 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(2-methylpyrazol-3-yl)-5-propan-2-ylphenyl]-3-(3-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 134492428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).