[4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

C159H192Cl3F4N25O21S2 — CID 157346988

About [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

[4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (PubChem CID 157346988) has the molecular formula C159H192Cl3F4N25O21S2 and a molecular weight of 3035.92 g/mol. Its IUPAC name is [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.

Molecular Properties

• Compound Name: [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
• PubChem CID: 157346988
• Molecular Formula: C159H192Cl3F4N25O21S2
• Molecular Weight: 3035.92 g/mol
• Exact Mass: 3032.32
• IUPAC Name: [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
• SMILES: CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1c[nH]c2ncc(OC3CC3)c(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1c[nH]c2ncc(OS(C)(=O)=O)c(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ncc(OS(C)(=O)=O)c(F)c12.CC(C)Oc1cnc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1Cl.CC(C)Oc1cnc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1F.COc1cnc2[nH]cc(C(C)(C)C(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1F.COc1cnc2[nH]cc(C(C)(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1F
• InChI: InChI=1S/C24H27ClN4O2.C24H29ClN4O2.C23H27FN4O2.C23H30FN3O3.C22H25ClN4O4S.C22H28FN3O3.C21H26FN3O5S/c1-13(17-9-27-21-19(17)20(25)18(10-28-21)31-16-3-4-16)22(30)29-14-5-23(2)6-15(29)8-24(7-14,11-23)12-26;1-13(2)31-18-10-28-21-19(20(18)25)17(9-27-21)14(3)22(30)29-15-5-23(4)6-16(29)8-24(7-15,11-23)12-26;1-21(2,15-9-26-19-17(15)18(24)16(30-4)10-27-19)20(29)28-13-5-22(3)6-14(28)8-23(7-13,11-22)12-25;1-12(2)30-17-10-26-20-18(19(17)24)16(9-25-20)13(3)21(28)27-14-5-22(4)6-15(27)8-23(29,7-14)11-22;1-12(15-8-25-19-17(15)18(23)16(9-26-19)31-32(3,29)30)20(28)27-13-4-21(2)5-14(27)7-22(6-13,10-21)11-24;1-20(2,14-9-24-18-16(14)17(23)15(29-4)10-25-18)19(27)26-12-5-21(3)6-13(26)8-22(28,7-12)11-21;1-11(14-8-23-18-16(14)17(22)15(9-24-18)30-31(3,28)29)19(26)25-12-4-20(2)5-13(25)7-21(27,6-12)10-20/h9-10,13-16H,3-8,11H2,1-2H3,(H,27,28);9-10,13-16H,5-8,11H2,1-4H3,(H,27,28);9-10,13-14H,5-8,11H2,1-4H3,(H,26,27);9-10,12-15,29H,5-8,11H2,1-4H3,(H,25,26);8-9,12-14H,4-7,10H2,1-3H3,(H,25,26);9-10,12-13,28H,5-8,11H2,1-4H3,(H,24,25);8-9,11-13,27H,4-7,10H2,1-3H3,(H,23,24)
• InChIKey: BHBXBLVGSDSFNS-UHFFFAOYSA-N
• XLogP: 27.52
• TPSA: 631.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3035.92
LogP ≤ 5	27.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?

The IUPAC name of [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (CID 157346988) is [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.

What is the SMILES notation for [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?

The canonical SMILES for [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1c[nH]c2ncc(OC3CC3)c(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1c[nH]c2ncc(OS(C)(=O)=O)c(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ncc(OS(C)(=O)=O)c(F)c12.CC(C)Oc1cnc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1Cl.CC(C)Oc1cnc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1F.COc1cnc2[nH]cc(C(C)(C)C(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1F.COc1cnc2[nH]cc(C(C)(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1F.

What is the InChIKey of [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?

The InChIKey is BHBXBLVGSDSFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2.C24H29ClN4O2.C23H27FN4O2.C23H30FN3O3.C22H25ClN4O4S.C22H28FN3O3.C21H26FN3O5S/c1-13(17-9-27-21-19(17)20(25)18(10-28-21)31-16-3-4-16)22(30)29-14-5-23(2)6-15(29)8-24(7-14,11-23)12-26;1-13(2)31-18-10-28-21-19(20(18)25)17(9-27-21)14(3)22(30)29-15-5-23(4)6-16(29)8-24(7-15,11-23)12-26;1-21(2,15-9-26-19-17(15)18(24)16(30-4)10-27-19)20(29)28-13-5-22(3)6-14(28)8-23(7-13,11-22)12-25;1-12(2)30-17-10-26-20-18(19(17)24)16(9-25-20)13(3)21(28)27-14-5-22(4)6-15(27)8-23(29,7-14)11-22;1-12(15-8-25-19-17(15)18(23)16(9-26-19)31-32(3,29)30)20(28)27-13-4-21(2)5-14(27)7-22(6-13,10-21)11-24;1-20(2,14-9-24-18-16(14)17(23)15(29-4)10-25-18)19(27)26-12-5-21(3)6-13(26)8-22(28,7-12)11-21;1-11(14-8-23-18-16(14)17(22)15(9-24-18)30-31(3,28)29)19(26)25-12-4-20(2)5-13(25)7-21(27,6-12)10-20/h9-10,13-16H,3-8,11H2,1-2H3,(H,27,28);9-10,13-16H,5-8,11H2,1-4H3,(H,27,28);9-10,13-14H,5-8,11H2,1-4H3,(H,26,27);9-10,12-15,29H,5-8,11H2,1-4H3,(H,25,26);8-9,12-14H,4-7,10H2,1-3H3,(H,25,26);9-10,12-13,28H,5-8,11H2,1-4H3,(H,24,25);8-9,11-13,27H,4-7,10H2,1-3H3,(H,23,24).

What are the key properties of [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?

[4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one has a molecular weight of 3035.92 g/mol, XLogP of 27.52, 26 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-[1-(5-cyano-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-[2-(4-chloro-5-cyclopropyloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;[4-fluoro-3-[1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl] methanesulfonate;2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-2-methylpropan-1-one;2-[2-(4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is sourced from PubChem (CID 157346988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).