3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

C146H162F6N14O11 — CID 158107255

About 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 158107255) has the molecular formula C146H162F6N14O11 and a molecular weight of 2402.98 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

• Compound Name: 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• PubChem CID: 158107255
• Molecular Formula: C146H162F6N14O11
• Molecular Weight: 2402.98 g/mol
• Exact Mass: 2401.25
• IUPAC Name: 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• SMILES: CC(C)C(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1c[nH]c2ncccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cc(F)ccc12.Cc1cccc2[nH]cc(C(CC(=O)N3C4CC5CC3CC(O)(C5)C4)c3ccc(F)cc3)c12.O=C(CC(c1c[nH]c2cccc(F)c12)C1CC1)N1C2CC3CC1CC(O)(C3)C2.O=C(CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12)N1C2CC3CC1CC(O)(C3)C2.O=C(CC(c1ccccc1)c1c[nH]c2cc(F)ccc12)N1C2CC3CC1CC(O)(C3)C2
• InChI: InChI=1S/C27H29FN2O2.C26H26F2N2O2.C26H27FN2O2.C23H27FN2O2.C23H28N4O.C21H25FN2O2/c1-16-3-2-4-24-26(16)23(15-29-24)22(18-5-7-19(28)8-6-18)11-25(31)30-20-9-17-10-21(30)14-27(32,12-17)13-20;27-16-5-6-19(23(28)9-16)21(22-14-29-24-4-2-1-3-20(22)24)10-25(31)30-17-7-15-8-18(30)13-26(32,11-15)12-17;27-18-6-7-21-23(15-28-24(21)10-18)22(17-4-2-1-3-5-17)11-25(30)29-19-8-16-9-20(29)14-26(31,12-16)13-19;24-19-2-1-3-20-22(19)18(12-25-20)17(14-4-5-14)8-21(27)26-15-6-13-7-16(26)11-23(28,9-13)10-15;1-14(2)19(20-12-26-22-18(20)4-3-5-25-22)8-21(28)27-16-6-15-7-17(27)11-23(9-15,10-16)13-24;1-12(18-11-23-19-7-14(22)2-3-17(18)19)4-20(25)24-15-5-13-6-16(24)10-21(26,8-13)9-15/h2-8,15,17,20-22,29,32H,9-14H2,1H3;1-6,9,14-15,17-18,21,29,32H,7-8,10-13H2;1-7,10,15-16,19-20,22,28,31H,8-9,11-14H2;1-3,12-17,25,28H,4-11H2;3-5,12,14-17,19H,6-11H2,1-2H3,(H,25,26);2-3,7,11-13,15-16,23,26H,4-6,8-10H2,1H3
• InChIKey: FPZKENIOYDJNBF-UHFFFAOYSA-N
• XLogP: 26.82
• TPSA: 354.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.98
LogP ≤ 5	26.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The IUPAC name of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 158107255) is 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(C)C(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1c[nH]c2ncccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cc(F)ccc12.Cc1cccc2[nH]cc(C(CC(=O)N3C4CC5CC3CC(O)(C5)C4)c3ccc(F)cc3)c12.O=C(CC(c1c[nH]c2cccc(F)c12)C1CC1)N1C2CC3CC1CC(O)(C3)C2.O=C(CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12)N1C2CC3CC1CC(O)(C3)C2.O=C(CC(c1ccccc1)c1c[nH]c2cc(F)ccc12)N1C2CC3CC1CC(O)(C3)C2.

What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The InChIKey is FPZKENIOYDJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2.C26H26F2N2O2.C26H27FN2O2.C23H27FN2O2.C23H28N4O.C21H25FN2O2/c1-16-3-2-4-24-26(16)23(15-29-24)22(18-5-7-19(28)8-6-18)11-25(31)30-20-9-17-10-21(30)14-27(32,12-17)13-20;27-16-5-6-19(23(28)9-16)21(22-14-29-24-4-2-1-3-20(22)24)10-25(31)30-17-7-15-8-18(30)13-26(32,11-15)12-17;27-18-6-7-21-23(15-28-24(21)10-18)22(17-4-2-1-3-5-17)11-25(30)29-19-8-16-9-20(29)14-26(31,12-16)13-19;24-19-2-1-3-20-22(19)18(12-25-20)17(14-4-5-14)8-21(27)26-15-6-13-7-16(26)11-23(28,9-13)10-15;1-14(2)19(20-12-26-22-18(20)4-3-5-25-22)8-21(28)27-16-6-15-7-17(27)11-23(9-15,10-16)13-24;1-12(18-11-23-19-7-14(22)2-3-17(18)19)4-20(25)24-15-5-13-6-16(24)10-21(26,8-13)9-15/h2-8,15,17,20-22,29,32H,9-14H2,1H3;1-6,9,14-15,17-18,21,29,32H,7-8,10-13H2;1-7,10,15-16,19-20,22,28,31H,8-9,11-14H2;1-3,12-17,25,28H,4-11H2;3-5,12,14-17,19H,6-11H2,1-2H3,(H,25,26);2-3,7,11-13,15-16,23,26H,4-6,8-10H2,1H3.

What are the key properties of 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2402.98 g/mol, XLogP of 26.82, 23 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;2-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 158107255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).