3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one

C69H69F4N15O6 — CID 158266529

IUPAC3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one
SMILESCC(=O)N1CCN(c2ccc(-n3c(C)nc(C)cc3=O)cc2F)CC1.COC1CCN(c2ccc(-n3c(C)nc(C)cc3=O)cc2F)C1.Cc1cc(=O)n(-c2ccc(-c3ccc4cncn4c3)c(F)c2)c(C)n1.Cc1cc(=O)n(-c2ccc(-n3cccn3)c(F)c2)c(C)n1
InChIInChI=1S/C19H15FN4O.C18H21FN4O2.C17H20FN3O2.C15H13FN4O/c1-12-7-19(25)24(13(2)22-12)15-5-6-17(18(20)8-15)14-3-4-16-9-21-11-23(16)10-14;1-12-10-18(25)23(13(2)20-12)15-4-5-17(16(19)11-15)22-8-6-21(7-9-22)14(3)24;1-11-8-17(22)21(12(2)19-11)13-4-5-16(15(18)9-13)20-7-6-14(10-20)23-3;1-10-8-15(21)20(11(2)18-10)12-4-5-14(13(16)9-12)19-7-3-6-17-19/h3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;4-5,8-9,14H,6-7,10H2,1-3H3;3-9H,1-2H3
InChIKeyGIMWQFJAWCYUKA-UHFFFAOYSA-N
MW1280.40 g/mol
LogP9.35
Rot. Bonds9

About 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one

3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 158266529) has the molecular formula C69H69F4N15O6 and a molecular weight of 1280.40 g/mol. Its IUPAC name is 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one
PubChem CID158266529
Molecular FormulaC69H69F4N15O6
Molecular Weight1280.40 g/mol
Exact Mass1279.55
IUPAC Name3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one
SMILESCC(=O)N1CCN(c2ccc(-n3c(C)nc(C)cc3=O)cc2F)CC1.COC1CCN(c2ccc(-n3c(C)nc(C)cc3=O)cc2F)C1.Cc1cc(=O)n(-c2ccc(-c3ccc4cncn4c3)c(F)c2)c(C)n1.Cc1cc(=O)n(-c2ccc(-n3cccn3)c(F)c2)c(C)n1
InChIInChI=1S/C19H15FN4O.C18H21FN4O2.C17H20FN3O2.C15H13FN4O/c1-12-7-19(25)24(13(2)22-12)15-5-6-17(18(20)8-15)14-3-4-16-9-21-11-23(16)10-14;1-12-10-18(25)23(13(2)20-12)15-4-5-17(16(19)11-15)22-8-6-21(7-9-22)14(3)24;1-11-8-17(22)21(12(2)19-11)13-4-5-16(15(18)9-13)20-7-6-14(10-20)23-3;1-10-8-15(21)20(11(2)18-10)12-4-5-14(13(16)9-12)19-7-3-6-17-19/h3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;4-5,8-9,14H,6-7,10H2,1-3H3;3-9H,1-2H3
InChIKeyGIMWQFJAWCYUKA-UHFFFAOYSA-N
XLogP9.35
TPSA210.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.40
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one with MolForge

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Related Compounds

3-[4-(4,4-dihydroxy-1-aza-4λ5-phosphacyclohex-4-en-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one
CID 123483127
3-[3-chloro-4-[4-(3-fluoroanilino)piperidin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 118164662
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
ethyl 3-fluoro-4-(3-methoxypyrrolidin-1-yl)benzoate
CID 146335739
3-[4-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(2-methyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c]pyrimidin-6-yl)phenyl]-2,6-dimethylpyrimidin-4-one
CID 158939521
3-[3-chloro-4-[4-(1H-indol-4-ylmethyl)piperidin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 118188312
3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one
CID 159948615
6-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-4-oxo-1-[2-(3-propan-2-yloxyazetidin-1-yl)-1,3-benzothiazol-6-yl]pyridine-3-carboxylic acid
CID 146312836
S-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl] ethanethioate
CID 45278003
4-[7-(3-aminopiperidin-1-yl)-3-[2-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]-3-fluorobenzonitrile
CID 154665580
3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine
CID 91558572
4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione
CID 167463235

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one (CID 158266529) is 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one is CC(=O)N1CCN(c2ccc(-n3c(C)nc(C)cc3=O)cc2F)CC1.COC1CCN(c2ccc(-n3c(C)nc(C)cc3=O)cc2F)C1.Cc1cc(=O)n(-c2ccc(-c3ccc4cncn4c3)c(F)c2)c(C)n1.Cc1cc(=O)n(-c2ccc(-n3cccn3)c(F)c2)c(C)n1.
What is the InChIKey of 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is GIMWQFJAWCYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O.C18H21FN4O2.C17H20FN3O2.C15H13FN4O/c1-12-7-19(25)24(13(2)22-12)15-5-6-17(18(20)8-15)14-3-4-16-9-21-11-23(16)10-14;1-12-10-18(25)23(13(2)20-12)15-4-5-17(16(19)11-15)22-8-6-21(7-9-22)14(3)24;1-11-8-17(22)21(12(2)19-11)13-4-5-16(15(18)9-13)20-7-6-14(10-20)23-3;1-10-8-15(21)20(11(2)18-10)12-4-5-14(13(16)9-12)19-7-3-6-17-19/h3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;4-5,8-9,14H,6-7,10H2,1-3H3;3-9H,1-2H3.
What are the key properties of 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?
3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 1280.40 g/mol, XLogP of 9.35, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-imidazo[1,5-a]pyridin-6-ylphenyl)-2,6-dimethylpyrimidin-4-one;3-[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]-2,6-dimethylpyrimidin-4-one;3-(3-fluoro-4-pyrazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 158266529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).