1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C25H27FN4O2 — CID 95834730

About 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 95834730) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
• PubChem CID: 95834730
• Molecular Formula: C25H27FN4O2
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.21
• IUPAC Name: 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
• SMILES: Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)n1
• InChI: InChI=1S/C25H27FN4O2/c1-16-10-18(3)30(25(32)28-16)15-24(31)29-9-8-21(14-29)23-13-20(11-17(2)27-23)12-19-4-6-22(26)7-5-19/h4-7,10-11,13,21H,8-9,12,14-15H2,1-3H3/t21-/m0/s1
• InChIKey: PHFZNJDNZAFCHG-NRFANRHFSA-N
• XLogP: 3.31
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?

The IUPAC name of 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 95834730) is 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

What is the SMILES notation for 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?

The canonical SMILES for 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)n1.

What is the InChIKey of 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?

The InChIKey is PHFZNJDNZAFCHG-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-16-10-18(3)30(25(32)28-16)15-24(31)29-9-8-21(14-29)23-13-20(11-17(2)27-23)12-19-4-6-22(26)7-5-19/h4-7,10-11,13,21H,8-9,12,14-15H2,1-3H3/t21-/m0/s1.

What are the key properties of 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?

1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 434.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 95834730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).