(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine

C102H109F25N20O20S5 — CID 161240273

IUPAC(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine
SMILESN[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOCC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CO4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4COC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4COC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C22H25F5N4O4S.C21H23F5N4O4S.2C20H21F5N4O4S.C19H19F5N4O4S/c23-13-1-2-16(24)15(7-13)20-17(28)8-19(21(35-20)22(25,26)27)30-9-12-10-31(29-18(12)11-30)36(32,33)14-3-5-34-6-4-14;22-12-1-2-15(23)14(5-12)19-16(27)6-18(20(34-19)21(24,25)26)29-7-11-8-30(28-17(11)9-29)35(31,32)13-3-4-33-10-13;2*21-11-1-2-14(22)13(3-11)18-15(26)4-17(19(33-18)20(23,24)25)28-5-10-6-29(27-16(10)7-28)34(30,31)12-8-32-9-12;20-10-1-2-12(21)11(3-10)17-13(25)4-15(18(32-17)19(22,23)24)27-5-9-6-28(26-14(9)7-27)33(29,30)16-8-31-16/h1-2,7,10,14,17,19-21H,3-6,8-9,11,28H2;1-2,5,8,13,16,18-20H,3-4,6-7,9-10,27H2;2*1-3,6,12,15,17-19H,4-5,7-9,26H2;1-3,6,13,15-18H,4-5,7-8,25H2/t17-,19+,20+,21+;13?,16-,18+,19+,20+;15-,17+,18+,19+;15-,17+,18+,19-;13-,15+,16?,17+,18+/m00000/s1
InChIKeyUZXDKXZWIPKFSI-LGESEANQSA-N
MW2570.40 g/mol
LogP10.34
Rot. Bonds20

About (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine

(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine (PubChem CID 161240273) has the molecular formula C102H109F25N20O20S5 and a molecular weight of 2570.40 g/mol. Its IUPAC name is (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine.

Molecular Properties

Compound Name(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine
PubChem CID161240273
Molecular FormulaC102H109F25N20O20S5
Molecular Weight2570.40 g/mol
Exact Mass2568.63
IUPAC Name(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine
SMILESN[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOCC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CO4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4COC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4COC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C22H25F5N4O4S.C21H23F5N4O4S.2C20H21F5N4O4S.C19H19F5N4O4S/c23-13-1-2-16(24)15(7-13)20-17(28)8-19(21(35-20)22(25,26)27)30-9-12-10-31(29-18(12)11-30)36(32,33)14-3-5-34-6-4-14;22-12-1-2-15(23)14(5-12)19-16(27)6-18(20(34-19)21(24,25)26)29-7-11-8-30(28-17(11)9-29)35(31,32)13-3-4-33-10-13;2*21-11-1-2-14(22)13(3-11)18-15(26)4-17(19(33-18)20(23,24)25)28-5-10-6-29(27-16(10)7-28)34(30,31)12-8-32-9-12;20-10-1-2-12(21)11(3-10)17-13(25)4-15(18(32-17)19(22,23)24)27-5-9-6-28(26-14(9)7-27)33(29,30)16-8-31-16/h1-2,7,10,14,17,19-21H,3-6,8-9,11,28H2;1-2,5,8,13,16,18-20H,3-4,6-7,9-10,27H2;2*1-3,6,12,15,17-19H,4-5,7-9,26H2;1-3,6,13,15-18H,4-5,7-8,25H2/t17-,19+,20+,21+;13?,16-,18+,19+,20+;15-,17+,18+,19+;15-,17+,18+,19-;13-,15+,16?,17+,18+/m00000/s1
InChIKeyUZXDKXZWIPKFSI-LGESEANQSA-N
XLogP10.34
TPSA501.70 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002570.40
LogP ≤ 510.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
The IUPAC name of (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine (CID 161240273) is (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine.
What is the SMILES notation for (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
The canonical SMILES for (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine is N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOCC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CO4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4COC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4COC4)nc3C2)[C@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
The InChIKey is UZXDKXZWIPKFSI-LGESEANQSA-N. The full InChI is InChI=1S/C22H25F5N4O4S.C21H23F5N4O4S.2C20H21F5N4O4S.C19H19F5N4O4S/c23-13-1-2-16(24)15(7-13)20-17(28)8-19(21(35-20)22(25,26)27)30-9-12-10-31(29-18(12)11-30)36(32,33)14-3-5-34-6-4-14;22-12-1-2-15(23)14(5-12)19-16(27)6-18(20(34-19)21(24,25)26)29-7-11-8-30(28-17(11)9-29)35(31,32)13-3-4-33-10-13;2*21-11-1-2-14(22)13(3-11)18-15(26)4-17(19(33-18)20(23,24)25)28-5-10-6-29(27-16(10)7-28)34(30,31)12-8-32-9-12;20-10-1-2-12(21)11(3-10)17-13(25)4-15(18(32-17)19(22,23)24)27-5-9-6-28(26-14(9)7-27)33(29,30)16-8-31-16/h1-2,7,10,14,17,19-21H,3-6,8-9,11,28H2;1-2,5,8,13,16,18-20H,3-4,6-7,9-10,27H2;2*1-3,6,12,15,17-19H,4-5,7-9,26H2;1-3,6,13,15-18H,4-5,7-8,25H2/t17-,19+,20+,21+;13?,16-,18+,19+,20+;15-,17+,18+,19+;15-,17+,18+,19-;13-,15+,16?,17+,18+/m00000/s1.
What are the key properties of (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine has a molecular weight of 2570.40 g/mol, XLogP of 10.34, 20 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6R)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 161240273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).