5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one

C23H20F2N4O2 — CID 153339137

IUPAC5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)C=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C23H20F2N4O2/c1-14-8-18(6-7-19(14)31-22(24)25)23(10-20(26)29(2)21(23)30)17-5-3-4-15(9-17)16-11-27-13-28-12-16/h3-13,22H,26H2,1-2H3
InChIKeyLAAFBVWWFIVBFP-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.61
Rot. Bonds5

About 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one

5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one (PubChem CID 153339137) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one.

Molecular Properties

Compound Name5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one
PubChem CID153339137
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)C=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C23H20F2N4O2/c1-14-8-18(6-7-19(14)31-22(24)25)23(10-20(26)29(2)21(23)30)17-5-3-4-15(9-17)16-11-27-13-28-12-16/h3-13,22H,26H2,1-2H3
InChIKeyLAAFBVWWFIVBFP-UHFFFAOYSA-N
XLogP3.61
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-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

5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione
CID 78320645
2-amino-3-(difluoromethyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 161015471
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(2-fluoro-5-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 153339163
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364471
5-[3-[2-[4-(difluoromethoxy)-3-methylphenyl]ethynyl]phenyl]pyrimidine
CID 153339172
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one
CID 138468759
3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
CID 141243095
2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 137394349
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(3-methoxyprop-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 25073048
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one?
The IUPAC name of 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one (CID 153339137) is 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one.
What is the SMILES notation for 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one?
The canonical SMILES for 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one is Cc1cc(C2(c3cccc(-c4cncnc4)c3)C=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one?
The InChIKey is LAAFBVWWFIVBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-14-8-18(6-7-19(14)31-22(24)25)23(10-20(26)29(2)21(23)30)17-5-3-4-15(9-17)16-11-27-13-28-12-16/h3-13,22H,26H2,1-2H3.
What are the key properties of 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one?
5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one has a molecular weight of 422.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one is sourced from PubChem (CID 153339137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).