2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine

C40H38N4O — CID 162285696

IUPAC2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
SMILESCc1cc(C)c(-c2cc(Oc3cccc(-n4nc(C)c(-c5ccccc5)c4C)c3)cc(C3=CN4CC=CC=C4N3C)c2)c(C)c1
InChIInChI=1S/C40H38N4O/c1-26-19-27(2)39(28(3)20-26)33-21-32(37-25-43-18-11-10-17-38(43)42(37)6)22-36(23-33)45-35-16-12-15-34(24-35)44-30(5)40(29(4)41-44)31-13-8-7-9-14-31/h7-17,19-25H,18H2,1-6H3
InChIKeyJITABHXBKYWZQX-UHFFFAOYSA-N
MW590.77 g/mol
LogP9.50
Rot. Bonds6

About 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine

2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine (PubChem CID 162285696) has the molecular formula C40H38N4O and a molecular weight of 590.77 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
PubChem CID162285696
Molecular FormulaC40H38N4O
Molecular Weight590.77 g/mol
Exact Mass590.30
IUPAC Name2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
SMILESCc1cc(C)c(-c2cc(Oc3cccc(-n4nc(C)c(-c5ccccc5)c4C)c3)cc(C3=CN4CC=CC=C4N3C)c2)c(C)c1
InChIInChI=1S/C40H38N4O/c1-26-19-27(2)39(28(3)20-26)33-21-32(37-25-43-18-11-10-17-38(43)42(37)6)22-36(23-33)45-35-16-12-15-34(24-35)44-30(5)40(29(4)41-44)31-13-8-7-9-14-31/h7-17,19-25H,18H2,1-6H3
InChIKeyJITABHXBKYWZQX-UHFFFAOYSA-N
XLogP9.50
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine
CID 162285797
3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole
CID 140729613
2-[3-(1-methyl-5H-imidazo[1,2-a]pyridin-2-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 162281126
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
4-[1-[3-[3-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)phenoxy]phenyl]pyrazol-4-yl]pyridine
CID 140729544
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-fluoro-2-pyridinyl)-6-phenylcarbazole
CID 153442105
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)-6-methylcarbazole
CID 153440713
6-deuterio-9-(4-deuterio-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153440759
5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine
CID 155633396
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-propyl-2-pyridinyl)-6-(trideuteriomethyl)carbazole
CID 153441890
1,3,5-trimethyl-2-[5-(3-phenoxyphenyl)-2-phenylphenyl]benzene
CID 173374837

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
The IUPAC name of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine (CID 162285696) is 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine is Cc1cc(C)c(-c2cc(Oc3cccc(-n4nc(C)c(-c5ccccc5)c4C)c3)cc(C3=CN4CC=CC=C4N3C)c2)c(C)c1.
What is the InChIKey of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
The InChIKey is JITABHXBKYWZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4O/c1-26-19-27(2)39(28(3)20-26)33-21-32(37-25-43-18-11-10-17-38(43)42(37)6)22-36(23-33)45-35-16-12-15-34(24-35)44-30(5)40(29(4)41-44)31-13-8-7-9-14-31/h7-17,19-25H,18H2,1-6H3.
What are the key properties of 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine?
2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine has a molecular weight of 590.77 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-1-methyl-5H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 162285696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).