6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one

C25H23FN4O3 — CID 58128635

IUPAC6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(C)n2)cc1CC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3/c1-15-4-5-17(21-10-11-23(32)30(3)28-21)12-18(15)13-22(31)20-14-29(2)25(33)27-24(20)16-6-8-19(26)9-7-16/h4-12,14,24H,13H2,1-3H3,(H,27,33)/t24-/m0/s1
InChIKeyUTBDUTVIMPUIEA-DEOSSOPVSA-N
MW446.48 g/mol
LogP3.29
Rot. Bonds5

About 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one

6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one (PubChem CID 58128635) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one
PubChem CID58128635
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(C)n2)cc1CC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O3/c1-15-4-5-17(21-10-11-23(32)30(3)28-21)12-18(15)13-22(31)20-14-29(2)25(33)27-24(20)16-6-8-19(26)9-7-16/h4-12,14,24H,13H2,1-3H3,(H,27,33)/t24-/m0/s1
InChIKeyUTBDUTVIMPUIEA-DEOSSOPVSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one (CID 58128635) is 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one is Cc1ccc(-c2ccc(=O)n(C)n2)cc1CC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one?
The InChIKey is UTBDUTVIMPUIEA-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-15-4-5-17(21-10-11-23(32)30(3)28-21)12-18(15)13-22(31)20-14-29(2)25(33)27-24(20)16-6-8-19(26)9-7-16/h4-12,14,24H,13H2,1-3H3,(H,27,33)/t24-/m0/s1.
What are the key properties of 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one?
6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one has a molecular weight of 446.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 58128635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).