1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one

C19H22F3N5O2 — CID 136850924

About 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one

1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 136850924) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
• PubChem CID: 136850924
• Molecular Formula: C19H22F3N5O2
• Molecular Weight: 409.41 g/mol
• Exact Mass: 409.17
• IUPAC Name: 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one
• SMILES: C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1
• InChI: InChI=1S/C19H22F3N5O2/c1-11-8-15(19(20,21)22)27-16(23-11)9-13(24-27)14-4-3-7-26(14)18(29)12-5-6-17(28)25(2)10-12/h5-6,9-11,14-15,23H,3-4,7-8H2,1-2H3/t11-,14+,15-/m1/s1
• InChIKey: IDHJDJUXQOWLJN-BYCMXARLSA-N
• XLogP: 2.87
• TPSA: 72.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.41
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?

The IUPAC name of 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one (CID 136850924) is 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one.

What is the SMILES notation for 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?

The canonical SMILES for 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one is C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1.

What is the InChIKey of 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?

The InChIKey is IDHJDJUXQOWLJN-BYCMXARLSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-11-8-15(19(20,21)22)27-16(23-11)9-13(24-27)14-4-3-7-26(14)18(29)12-5-6-17(28)25(2)10-12/h5-6,9-11,14-15,23H,3-4,7-8H2,1-2H3/t11-,14+,15-/m1/s1.

What are the key properties of 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one?

1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 409.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[(2S)-2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 136850924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).