(2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine

C102H113F25N20O15S5 — CID 162158547

About (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine

(2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine (PubChem CID 162158547) has the molecular formula C102H113F25N20O15S5 and a molecular weight of 2494.44 g/mol. Its IUPAC name is (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine.

Molecular Properties

• Compound Name: (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
• PubChem CID: 162158547
• Molecular Formula: C102H113F25N20O15S5
• Molecular Weight: 2494.44 g/mol
• Exact Mass: 2492.69
• IUPAC Name: (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
• SMILES: CCS(=O)(=O)n1cc2c(n1)CN([C@@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@@H]1C(F)(F)F)C2.Cc1c2c(nn1S(C)(=O)=O)CN([C@@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@H]1C(F)(F)F)C2.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F
• InChI: InChI=1S/2C22H25F5N4O3S.C20H21F5N4O3S.2C19H21F5N4O3S/c2*23-13-5-6-16(24)15(7-13)20-17(28)8-19(21(34-20)22(25,26)27)30-9-12-10-31(29-18(12)11-30)35(32,33)14-3-1-2-4-14;21-11-1-4-14(22)13(5-11)18-15(26)6-17(19(32-18)20(23,24)25)28-7-10-8-29(27-16(10)9-28)33(30,31)12-2-3-12;1-9-12-7-27(8-15(12)26-28(9)32(2,29)30)16-6-14(25)17(31-18(16)19(22,23)24)11-5-10(20)3-4-13(11)21;1-2-32(29,30)28-8-10-7-27(9-15(10)26-28)16-6-14(25)17(31-18(16)19(22,23)24)12-5-11(20)3-4-13(12)21/h2*5-7,10,14,17,19-21H,1-4,8-9,11,28H2;1,4-5,8,12,15,17-19H,2-3,6-7,9,26H2;3-5,14,16-18H,6-8,25H2,1-2H3;3-5,8,14,16-18H,2,6-7,9,25H2,1H3/t17-,19+,20+,21+;17-,19+,20+,21-;15-,17+,18+,19-;14-,16+,17+,18+;14-,16+,17+,18-/m00000/s1
• InChIKey: ZMDROSPWTFCKLW-UBCGZRMHSA-N
• XLogP: 14.22
• TPSA: 452.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2494.44
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

The IUPAC name of (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine (CID 162158547) is (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine.

What is the SMILES notation for (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

The canonical SMILES for (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine is CCS(=O)(=O)n1cc2c(n1)CN([C@@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@@H]1C(F)(F)F)C2.Cc1c2c(nn1S(C)(=O)=O)CN([C@@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@H]1C(F)(F)F)C2.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCCC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.

What is the InChIKey of (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

The InChIKey is ZMDROSPWTFCKLW-UBCGZRMHSA-N. The full InChI is InChI=1S/2C22H25F5N4O3S.C20H21F5N4O3S.2C19H21F5N4O3S/c2*23-13-5-6-16(24)15(7-13)20-17(28)8-19(21(34-20)22(25,26)27)30-9-12-10-31(29-18(12)11-30)35(32,33)14-3-1-2-4-14;21-11-1-4-14(22)13(5-11)18-15(26)6-17(19(32-18)20(23,24)25)28-7-10-8-29(27-16(10)9-28)33(30,31)12-2-3-12;1-9-12-7-27(8-15(12)26-28(9)32(2,29)30)16-6-14(25)17(31-18(16)19(22,23)24)11-5-10(20)3-4-13(11)21;1-2-32(29,30)28-8-10-7-27(9-15(10)26-28)16-6-14(25)17(31-18(16)19(22,23)24)12-5-11(20)3-4-13(12)21/h2*5-7,10,14,17,19-21H,1-4,8-9,11,28H2;1,4-5,8,12,15,17-19H,2-3,6-7,9,26H2;3-5,14,16-18H,6-8,25H2,1-2H3;3-5,8,14,16-18H,2,6-7,9,25H2,1H3/t17-,19+,20+,21+;17-,19+,20+,21-;15-,17+,18+,19-;14-,16+,17+,18+;14-,16+,17+,18-/m00000/s1.

What are the key properties of (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine?

(2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine has a molecular weight of 2494.44 g/mol, XLogP of 14.22, 19 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R,6S)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-5-(2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-5-(2-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(2,5-difluorophenyl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-(2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-(3-methyl-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 162158547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).