2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole

C31H26N4O2 — CID 118710892

IUPAC2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)n3nc(-c4ccccc4)c(-c4ccncc4)c3n2C)cc1
InChIInChI=1S/C31H26N4O2/c1-34-29(23-9-13-25(36-2)14-10-23)30(24-11-15-26(37-3)16-12-24)35-31(34)27(21-17-19-32-20-18-21)28(33-35)22-7-5-4-6-8-22/h4-20H,1-3H3
InChIKeyZOQLXJNFNWKJAJ-UHFFFAOYSA-N
MW486.58 g/mol
LogP6.75
Rot. Bonds6

About 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole

2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole (PubChem CID 118710892) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole
PubChem CID118710892
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC Name2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)n3nc(-c4ccccc4)c(-c4ccncc4)c3n2C)cc1
InChIInChI=1S/C31H26N4O2/c1-34-29(23-9-13-25(36-2)14-10-23)30(24-11-15-26(37-3)16-12-24)35-31(34)27(21-17-19-32-20-18-21)28(33-35)22-7-5-4-6-8-22/h4-20H,1-3H3
InChIKeyZOQLXJNFNWKJAJ-UHFFFAOYSA-N
XLogP6.75
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole (CID 118710892) is 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(OC)cc3)n3nc(-c4ccccc4)c(-c4ccncc4)c3n2C)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole?
The InChIKey is ZOQLXJNFNWKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2/c1-34-29(23-9-13-25(36-2)14-10-23)30(24-11-15-26(37-3)16-12-24)35-31(34)27(21-17-19-32-20-18-21)28(33-35)22-7-5-4-6-8-22/h4-20H,1-3H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole?
2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole has a molecular weight of 486.58 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-ylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).