1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one

C29H26F2N2O2 — CID 149455023

IUPAC1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one
SMILESCCC(F)(F)c1ccc(CC(=O)Cc2ccc(-c3nccnc3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C29H26F2N2O2/c1-3-29(30,31)24-12-6-21(7-13-24)19-25(34)18-20-4-8-22(9-5-20)27-28(33-17-16-32-27)23-10-14-26(35-2)15-11-23/h4-17H,3,18-19H2,1-2H3
InChIKeyYYJQALWWYFSOQR-UHFFFAOYSA-N
MW472.54 g/mol
LogP6.68
Rot. Bonds9

About 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one

1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one (PubChem CID 149455023) has the molecular formula C29H26F2N2O2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one
PubChem CID149455023
Molecular FormulaC29H26F2N2O2
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one
SMILESCCC(F)(F)c1ccc(CC(=O)Cc2ccc(-c3nccnc3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C29H26F2N2O2/c1-3-29(30,31)24-12-6-21(7-13-24)19-25(34)18-20-4-8-22(9-5-20)27-28(33-17-16-32-27)23-10-14-26(35-2)15-11-23/h4-17H,3,18-19H2,1-2H3
InChIKeyYYJQALWWYFSOQR-UHFFFAOYSA-N
XLogP6.68
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(4-chlorophenyl)pyrazin-2-yl]phenyl]-3-[4-(1,1-difluoropropyl)phenyl]propan-2-one
CID 148544424
1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-[(2-hydroxy-1-phenylethyl)amino]pyrazin-2-yl]phenyl]propan-2-one
CID 152832065
2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide
CID 138751961
methyl 2-[4-(1,1-difluoropropyl)phenyl]acetate
CID 116991957
2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]phenyl]acetamide
CID 135306440
N-[4-[3-[1-(2-chloro-4-fluorophenyl)ethylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297546
6,6,6-trifluoro-1-(4-methoxyphenyl)hexan-2-one
CID 113326821
N-[4-[3-[2-(2-cyclopropylphenyl)ethoxy]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 175165866
N-[4-[3-[[(1S)-1-(4-chlorophenyl)ethyl]-methylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297341
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one?
The IUPAC name of 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one (CID 149455023) is 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one is CCC(F)(F)c1ccc(CC(=O)Cc2ccc(-c3nccnc3-c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one?
The InChIKey is YYJQALWWYFSOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N2O2/c1-3-29(30,31)24-12-6-21(7-13-24)19-25(34)18-20-4-8-22(9-5-20)27-28(33-17-16-32-27)23-10-14-26(35-2)15-11-23/h4-17H,3,18-19H2,1-2H3.
What are the key properties of 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one?
1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one has a molecular weight of 472.54 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoropropyl)phenyl]-3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]phenyl]propan-2-one is sourced from PubChem (CID 149455023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).