2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

C31H23F3N4O — CID 118710919

IUPAC2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(-c4ccncc4)c3n2C)cc1
InChIInChI=1S/C31H23F3N4O/c1-37-28(22-10-14-25(39-2)15-11-22)29(23-8-12-24(13-9-23)31(32,33)34)38-30(37)26(20-16-18-35-19-17-20)27(36-38)21-6-4-3-5-7-21/h3-19H,1-2H3
InChIKeyZJCBRFNIGXLISY-UHFFFAOYSA-N
MW524.55 g/mol
LogP7.76
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (PubChem CID 118710919) has the molecular formula C31H23F3N4O and a molecular weight of 524.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
PubChem CID118710919
Molecular FormulaC31H23F3N4O
Molecular Weight524.55 g/mol
Exact Mass524.18
IUPAC Name2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(-c4ccncc4)c3n2C)cc1
InChIInChI=1S/C31H23F3N4O/c1-37-28(22-10-14-25(39-2)15-11-22)29(23-8-12-24(13-9-23)31(32,33)34)38-30(37)26(20-16-18-35-19-17-20)27(36-38)21-6-4-3-5-7-21/h3-19H,1-2H3
InChIKeyZJCBRFNIGXLISY-UHFFFAOYSA-N
XLogP7.76
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 57.76
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-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (CID 118710919) is 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(-c4ccncc4)c3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The InChIKey is ZJCBRFNIGXLISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N4O/c1-37-28(22-10-14-25(39-2)15-11-22)29(23-8-12-24(13-9-23)31(32,33)34)38-30(37)26(20-16-18-35-19-17-20)27(36-38)21-6-4-3-5-7-21/h3-19H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole has a molecular weight of 524.55 g/mol, XLogP of 7.76, 5 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-6-phenyl-7-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).