[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone

C167H155Cl4F11N18O30 — CID 167558974

About [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone

[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone (PubChem CID 167558974) has the molecular formula C167H155Cl4F11N18O30 and a molecular weight of 3244.96 g/mol. Its IUPAC name is [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone.

Molecular Properties

• Compound Name: [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone
• PubChem CID: 167558974
• Molecular Formula: C167H155Cl4F11N18O30
• Molecular Weight: 3244.96 g/mol
• Exact Mass: 3240.97
• IUPAC Name: [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone
• SMILES: CCOc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3)c2c1N[C@@H]1CC[C@@H](CO)OC1.CCOc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3C)c2c1N[C@@H]1CC[C@@H](CO)OC1.CCOc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2ncc(O)c(N[C@@H]3CC[C@@H](CO)OC3)c12.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2ncc(OC=C(F)F)c(N[C@@H]3CC[C@@H](CO)OC3)c12.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2ncc(OCC(F)(F)F)c(N[C@@H]3CC[C@@H](CO)OC3)c12
• InChI: InChI=1S/C29H30FN3O5.C28H24ClF4N3O5.C28H23ClF3N3O5.C28H27ClFN3O5.C28H28FN3O5.C26H23ClFN3O5/c1-3-36-25-14-32-29-26(27(25)33-18-8-9-20(15-34)37-16-18)22(13-31-29)28(35)21-11-10-19(12-17(21)2)38-24-7-5-4-6-23(24)30;29-20-9-16(41-22-4-2-1-3-21(22)30)7-8-18(20)26(38)19-10-34-27-24(19)25(23(11-35-27)40-14-28(31,32)33)36-15-5-6-17(12-37)39-13-15;29-20-9-16(40-22-4-2-1-3-21(22)30)7-8-18(20)27(37)19-10-33-28-25(19)26(23(11-34-28)39-14-24(31)32)35-15-5-6-17(12-36)38-13-15;1-2-36-24-13-32-28-25(26(24)33-16-7-8-18(14-34)37-15-16)20(12-31-28)27(35)19-10-9-17(11-21(19)29)38-23-6-4-3-5-22(23)30;1-2-35-24-14-31-28-25(26(24)32-18-9-12-20(15-33)36-16-18)21(13-30-28)27(34)17-7-10-19(11-8-17)37-23-6-4-3-5-22(23)29;27-19-9-15(36-22-4-2-1-3-20(22)28)7-8-17(19)25(34)18-10-29-26-23(18)24(21(33)11-30-26)31-14-5-6-16(12-32)35-13-14/h4-7,10-14,18,20,34H,3,8-9,15-16H2,1-2H3,(H2,31,32,33);1-4,7-11,15,17,37H,5-6,12-14H2,(H2,34,35,36);1-4,7-11,14-15,17,36H,5-6,12-13H2,(H2,33,34,35);3-6,9-13,16,18,34H,2,7-8,14-15H2,1H3,(H2,31,32,33);3-8,10-11,13-14,18,20,33H,2,9,12,15-16H2,1H3,(H2,30,31,32);1-4,7-11,14,16,32-33H,5-6,12-13H2,(H2,29,30,31)/t18-,20+;2*15-,17+;16-,18+;18-,20+;14-,16+/m111111/s1
• InChIKey: DJTCKVHSQAMIFW-NGDBNTOSSA-N
• XLogP: 33.94
• TPSA: 645.20 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 42
• Rotatable Bonds: 52
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3244.96
LogP ≤ 5	33.94
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone?

The IUPAC name of [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone (CID 167558974) is [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone.

What is the SMILES notation for [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone?

The canonical SMILES for [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone is CCOc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3)c2c1N[C@@H]1CC[C@@H](CO)OC1.CCOc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3C)c2c1N[C@@H]1CC[C@@H](CO)OC1.CCOc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2ncc(O)c(N[C@@H]3CC[C@@H](CO)OC3)c12.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2ncc(OC=C(F)F)c(N[C@@H]3CC[C@@H](CO)OC3)c12.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2ncc(OCC(F)(F)F)c(N[C@@H]3CC[C@@H](CO)OC3)c12.

What is the InChIKey of [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone?

The InChIKey is DJTCKVHSQAMIFW-NGDBNTOSSA-N. The full InChI is InChI=1S/C29H30FN3O5.C28H24ClF4N3O5.C28H23ClF3N3O5.C28H27ClFN3O5.C28H28FN3O5.C26H23ClFN3O5/c1-3-36-25-14-32-29-26(27(25)33-18-8-9-20(15-34)37-16-18)22(13-31-29)28(35)21-11-10-19(12-17(21)2)38-24-7-5-4-6-23(24)30;29-20-9-16(41-22-4-2-1-3-21(22)30)7-8-18(20)26(38)19-10-34-27-24(19)25(23(11-35-27)40-14-28(31,32)33)36-15-5-6-17(12-37)39-13-15;29-20-9-16(40-22-4-2-1-3-21(22)30)7-8-18(20)27(37)19-10-33-28-25(19)26(23(11-34-28)39-14-24(31)32)35-15-5-6-17(12-36)38-13-15;1-2-36-24-13-32-28-25(26(24)33-16-7-8-18(14-34)37-15-16)20(12-31-28)27(35)19-10-9-17(11-21(19)29)38-23-6-4-3-5-22(23)30;1-2-35-24-14-31-28-25(26(24)32-18-9-12-20(15-33)36-16-18)21(13-30-28)27(34)17-7-10-19(11-8-17)37-23-6-4-3-5-22(23)29;27-19-9-15(36-22-4-2-1-3-20(22)28)7-8-17(19)25(34)18-10-29-26-23(18)24(21(33)11-30-26)31-14-5-6-16(12-32)35-13-14/h4-7,10-14,18,20,34H,3,8-9,15-16H2,1-2H3,(H2,31,32,33);1-4,7-11,15,17,37H,5-6,12-14H2,(H2,34,35,36);1-4,7-11,14-15,17,36H,5-6,12-13H2,(H2,33,34,35);3-6,9-13,16,18,34H,2,7-8,14-15H2,1H3,(H2,31,32,33);3-8,10-11,13-14,18,20,33H,2,9,12,15-16H2,1H3,(H2,30,31,32);1-4,7-11,14,16,32-33H,5-6,12-13H2,(H2,29,30,31)/t18-,20+;2*15-,17+;16-,18+;18-,20+;14-,16+/m111111/s1.

What are the key properties of [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone?

[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone has a molecular weight of 3244.96 g/mol, XLogP of 33.94, 52 rotatable bonds, 19 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-4-(2-fluorophenoxy)phenyl]-[5-(2,2-difluoroethenoxy)-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[5-hydroxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)-2-methylphenyl]methanone;[5-ethoxy-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-[4-(2-fluorophenoxy)phenyl]methanone is sourced from PubChem (CID 167558974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).