(7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one

C19H23F4N3O3 — CID 138525907

About (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one

(7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 138525907) has the molecular formula C19H23F4N3O3 and a molecular weight of 417.40 g/mol. Its IUPAC name is (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
• PubChem CID: 138525907
• Molecular Formula: C19H23F4N3O3
• Molecular Weight: 417.40 g/mol
• Exact Mass: 417.17
• IUPAC Name: (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
• SMILES: C[C@@H]1COCCN1c1nc2n(c(=O)c1F)C[C@@](C)(C(F)(F)F)C2CC(=O)C1CC1
• InChI: InChI=1S/C19H23F4N3O3/c1-10-8-29-6-5-25(10)16-14(20)17(28)26-9-18(2,19(21,22)23)12(15(26)24-16)7-13(27)11-3-4-11/h10-12H,3-9H2,1-2H3/t10-,12?,18-/m1/s1
• InChIKey: HCARSWNLPWUHPH-RYTYOSBWSA-N
• XLogP: 2.64
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.40
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?

The IUPAC name of (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one (CID 138525907) is (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one.

What is the SMILES notation for (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?

The canonical SMILES for (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one is C[C@@H]1COCCN1c1nc2n(c(=O)c1F)C[C@@](C)(C(F)(F)F)C2CC(=O)C1CC1.

What is the InChIKey of (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?

The InChIKey is HCARSWNLPWUHPH-RYTYOSBWSA-N. The full InChI is InChI=1S/C19H23F4N3O3/c1-10-8-29-6-5-25(10)16-14(20)17(28)26-9-18(2,19(21,22)23)12(15(26)24-16)7-13(27)11-3-4-11/h10-12H,3-9H2,1-2H3/t10-,12?,18-/m1/s1.

What are the key properties of (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one?

(7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 417.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138525907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).