2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine

C33H32N4O — CID 118651921

IUPAC2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
SMILESCCc1nn(C2CCCCO2)c(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)n2)c1C
InChIInChI=1S/C33H32N4O/c1-3-28-23(2)33(37(36-28)32-18-5-7-20-38-32)31-17-10-16-30(35-31)27-14-9-12-25(22-27)24-11-8-13-26(21-24)29-15-4-6-19-34-29/h4,6,8-17,19,21-22,32H,3,5,7,18,20H2,1-2H3
InChIKeyKOJWNHKJXAXLKR-UHFFFAOYSA-N
MW500.65 g/mol
LogP7.91
Rot. Bonds6

About 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine

2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine (PubChem CID 118651921) has the molecular formula C33H32N4O and a molecular weight of 500.65 g/mol. Its IUPAC name is 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
PubChem CID118651921
Molecular FormulaC33H32N4O
Molecular Weight500.65 g/mol
Exact Mass500.26
IUPAC Name2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
SMILESCCc1nn(C2CCCCO2)c(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)n2)c1C
InChIInChI=1S/C33H32N4O/c1-3-28-23(2)33(37(36-28)32-18-5-7-20-38-32)31-17-10-16-30(35-31)27-14-9-12-25(22-27)24-11-8-13-26(21-24)29-15-4-6-19-34-29/h4,6,8-17,19,21-22,32H,3,5,7,18,20H2,1-2H3
InChIKeyKOJWNHKJXAXLKR-UHFFFAOYSA-N
XLogP7.91
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine with MolForge

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Related Compounds

[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}phenyl)-methyl]tetrahydro-2H-pyran-4-ylamine
CID 10201693
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2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11716589
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-[3-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-4-trifluoromethyl-pyridine
CID 121347799
3-(3-{1-[2-(1-piperidinyl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridine
CID 30937270
2-(3-{1-[2-(1-piperidinyl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridine
CID 31223595
2-Methyl-6-[[4-(4-pyridin-3-ylphenyl)pyrazol-1-yl]methyl]pyridine
CID 118709783
5-[1-Cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine
CID 155548619
4-[[1-Cyclohexyl-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]methyl]morpholine
CID 155549793
4-Methyl-2-[3-(1-methyl-1H-pyrazol-4-yl)-phenyl]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-pyridine
CID 121347855
4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)pyridine
CID 154713307

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine?
The IUPAC name of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine (CID 118651921) is 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine is CCc1nn(C2CCCCO2)c(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)c4)c3)n2)c1C.
What is the InChIKey of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine?
The InChIKey is KOJWNHKJXAXLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O/c1-3-28-23(2)33(37(36-28)32-18-5-7-20-38-32)31-17-10-16-30(35-31)27-14-9-12-25(22-27)24-11-8-13-26(21-24)29-15-4-6-19-34-29/h4,6,8-17,19,21-22,32H,3,5,7,18,20H2,1-2H3.
What are the key properties of 2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine?
2-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine has a molecular weight of 500.65 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 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-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 118651921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).