(5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)

C110H106F17N27O17 — CID 160634264

About (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)

(5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one) (PubChem CID 160634264) has the molecular formula C110H106F17N27O17 and a molecular weight of 2401.20 g/mol. Its IUPAC name is (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one).

Molecular Properties

• Compound Name: (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)
• PubChem CID: 160634264
• Molecular Formula: C110H106F17N27O17
• Molecular Weight: 2401.20 g/mol
• Exact Mass: 2399.80
• IUPAC Name: (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)
• SMILES: CC(=O)CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1.CC(=O)CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1.CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1.CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)cc2F)C(=O)O1.Cn1cc2c(n1)CN(c1c(F)cc(N3C[C@H](COC4=NCN=C4)OC3=O)c(F)c1F)C2.Cn1cc2c(n1)CN(c1c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c1F)C2
• InChI: InChI=1S/C19H17F3N6O3.C19H16F3N5O4.2C19H19F3N4O3.C17H17F3N4O2.C17H18F2N4O2/c1-26-4-10-5-27(7-13(10)25-26)18-12(20)2-14(16(21)17(18)22)28-6-11(31-19(28)29)8-30-15-3-23-9-24-15;1-25-5-10-6-26(8-13(10)23-25)18-12(20)4-14(16(21)17(18)22)27-7-11(31-19(27)28)9-29-15-2-3-30-24-15;2*1-10(27)3-4-12-8-26(19(28)29-12)15-5-13(20)18(17(22)16(15)21)25-7-11-6-24(2)23-14(11)9-25;1-3-10-7-24(17(25)26-10)13-4-11(18)16(15(20)14(13)19)23-6-9-5-22(2)21-12(9)8-23;1-3-11-8-23(17(24)25-11)16-5-12(18)15(4-13(16)19)22-7-10-6-21(2)20-14(10)9-22/h2-4,11H,5-9H2,1H3;2-5,11H,6-9H2,1H3;2*5-6,12H,3-4,7-9H2,1-2H3;4-5,10H,3,6-8H2,1-2H3;4-6,11H,3,7-9H2,1-2H3/t2*11-;2*12-;10-;11-/m110000/s1
• InChIKey: RIIHRAGOXCTBJT-YLEHFPCASA-N
• XLogP: 17.04
• TPSA: 406.95 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2401.20
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)?

The IUPAC name of (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one) (CID 160634264) is (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one).

What is the SMILES notation for (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)?

The canonical SMILES for (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one) is CC(=O)CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1.CC(=O)CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1.CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)c(F)c2F)C(=O)O1.CC[C@H]1CN(c2cc(F)c(N3Cc4cn(C)nc4C3)cc2F)C(=O)O1.Cn1cc2c(n1)CN(c1c(F)cc(N3C[C@H](COC4=NCN=C4)OC3=O)c(F)c1F)C2.Cn1cc2c(n1)CN(c1c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c1F)C2.

What is the InChIKey of (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)?

The InChIKey is RIIHRAGOXCTBJT-YLEHFPCASA-N. The full InChI is InChI=1S/C19H17F3N6O3.C19H16F3N5O4.2C19H19F3N4O3.C17H17F3N4O2.C17H18F2N4O2/c1-26-4-10-5-27(7-13(10)25-26)18-12(20)2-14(16(21)17(18)22)28-6-11(31-19(28)29)8-30-15-3-23-9-24-15;1-25-5-10-6-26(8-13(10)23-25)18-12(20)4-14(16(21)17(18)22)27-7-11(31-19(27)28)9-29-15-2-3-30-24-15;2*1-10(27)3-4-12-8-26(19(28)29-12)15-5-13(20)18(17(22)16(15)21)25-7-11-6-24(2)23-14(11)9-25;1-3-10-7-24(17(25)26-10)13-4-11(18)16(15(20)14(13)19)23-6-9-5-22(2)21-12(9)8-23;1-3-11-8-23(17(24)25-11)16-5-12(18)15(4-13(16)19)22-7-10-6-21(2)20-14(10)9-22/h2-4,11H,5-9H2,1H3;2-5,11H,6-9H2,1H3;2*5-6,12H,3-4,7-9H2,1-2H3;4-5,10H,3,6-8H2,1-2H3;4-6,11H,3,7-9H2,1-2H3/t2*11-;2*12-;10-;11-/m110000/s1.

What are the key properties of (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one)?

(5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one) has a molecular weight of 2401.20 g/mol, XLogP of 17.04, 25 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[2,5-difluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(2H-imidazol-4-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one;bis((5S)-5-(3-oxobutyl)-3-[2,3,5-trifluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-1,3-oxazolidin-2-one) is sourced from PubChem (CID 160634264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).