2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole

C32H34N4O — CID 118710927

IUPAC2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN4CCCCC4)c3n2C)cc1
InChIInChI=1S/C32H34N4O/c1-23-12-14-26(15-13-23)31-30(25-16-18-27(37-3)19-17-25)34(2)32-28(22-35-20-8-5-9-21-35)29(33-36(31)32)24-10-6-4-7-11-24/h4,6-7,10-19H,5,8-9,20-22H2,1-3H3
InChIKeyZEXXVVHNOOAYOV-UHFFFAOYSA-N
MW490.65 g/mol
LogP6.98
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole

2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole (PubChem CID 118710927) has the molecular formula C32H34N4O and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole
PubChem CID118710927
Molecular FormulaC32H34N4O
Molecular Weight490.65 g/mol
Exact Mass490.27
IUPAC Name2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN4CCCCC4)c3n2C)cc1
InChIInChI=1S/C32H34N4O/c1-23-12-14-26(15-13-23)31-30(25-16-18-27(37-3)19-17-25)34(2)32-28(22-35-20-8-5-9-21-35)29(33-36(31)32)24-10-6-4-7-11-24/h4,6-7,10-19H,5,8-9,20-22H2,1-3H3
InChIKeyZEXXVVHNOOAYOV-UHFFFAOYSA-N
XLogP6.98
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole (CID 118710927) is 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN4CCCCC4)c3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole?
The InChIKey is ZEXXVVHNOOAYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O/c1-23-12-14-26(15-13-23)31-30(25-16-18-27(37-3)19-17-25)34(2)32-28(22-35-20-8-5-9-21-35)29(33-36(31)32)24-10-6-4-7-11-24/h4,6-7,10-19H,5,8-9,20-22H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole has a molecular weight of 490.65 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-(piperidin-1-ylmethyl)imidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).