4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol

C137H155N17O9 — CID 158196239

About 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol

4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol (PubChem CID 158196239) has the molecular formula C137H155N17O9 and a molecular weight of 2183.86 g/mol. Its IUPAC name is 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol.

Molecular Properties

• Compound Name: 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol
• PubChem CID: 158196239
• Molecular Formula: C137H155N17O9
• Molecular Weight: 2183.86 g/mol
• Exact Mass: 2182.22
• IUPAC Name: 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol
• SMILES: Cc1cc(Nc2ccnc(CO)c2)ccc1CCCc1c[nH]c2c(C(C)(C)O)cccc12.Cc1cc(Nc2ccnc3c2CCC3O)ccc1CCCc1c[nH]c2c(CCO)cccc12.Cc1cc(Nc2ccnc3c2CC[C@H]3O)ccc1CCCc1c[nH]c2c(C(C)O)cccc12.Cc1cc(Nc2ccnc3c2CC[C@H]3O)ccc1NCCc1c[nH]c2c(C(C)(C)O)cccc12.Cc1cc(Nc2ccncc2)ccc1NCCc1c[nH]c2c(C(O)C(C)C)cccc12
• InChI: InChI=1S/C28H32N4O2.2C28H31N3O2.C27H31N3O2.C26H30N4O/c1-17-15-19(32-24-12-14-30-27-21(24)8-10-25(27)33)7-9-23(17)29-13-11-18-16-31-26-20(18)5-4-6-22(26)28(2,3)34;1-17-15-21(31-25-13-14-29-28-24(25)11-12-26(28)33)10-9-19(17)5-3-6-20-16-30-27-22(18(2)32)7-4-8-23(20)27;1-18-16-22(31-25-12-14-29-28-24(25)10-11-26(28)33)9-8-19(18)4-2-6-21-17-30-27-20(13-15-32)5-3-7-23(21)27;1-18-14-21(30-22-12-13-28-23(15-22)17-31)11-10-19(18)6-4-7-20-16-29-26-24(20)8-5-9-25(26)27(2,3)32;1-17(2)26(31)23-6-4-5-22-19(16-29-25(22)23)9-14-28-24-8-7-21(15-18(24)3)30-20-10-12-27-13-11-20/h4-7,9,12,14-16,25,29,31,33-34H,8,10-11,13H2,1-3H3,(H,30,32);4,7-10,13-16,18,26,30,32-33H,3,5-6,11-12H2,1-2H3,(H,29,31);3,5,7-9,12,14,16-17,26,30,32-33H,2,4,6,10-11,13,15H2,1H3,(H,29,31);5,8-16,29,31-32H,4,6-7,17H2,1-3H3,(H,28,30);4-8,10-13,15-17,26,28-29,31H,9,14H2,1-3H3,(H,27,30)/t25-;18?,26-;;;/m11.../s1
• InChIKey: GAJHWBPDNBIGJR-KLRUHRSHSA-N
• XLogP: 28.07
• TPSA: 409.68 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 21
• Rotatable Bonds: 38
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2183.86
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol?

The IUPAC name of 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol (CID 158196239) is 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol.

What is the SMILES notation for 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol?

The canonical SMILES for 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol is Cc1cc(Nc2ccnc(CO)c2)ccc1CCCc1c[nH]c2c(C(C)(C)O)cccc12.Cc1cc(Nc2ccnc3c2CCC3O)ccc1CCCc1c[nH]c2c(CCO)cccc12.Cc1cc(Nc2ccnc3c2CC[C@H]3O)ccc1CCCc1c[nH]c2c(C(C)O)cccc12.Cc1cc(Nc2ccnc3c2CC[C@H]3O)ccc1NCCc1c[nH]c2c(C(C)(C)O)cccc12.Cc1cc(Nc2ccncc2)ccc1NCCc1c[nH]c2c(C(O)C(C)C)cccc12.

What is the InChIKey of 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol?

The InChIKey is GAJHWBPDNBIGJR-KLRUHRSHSA-N. The full InChI is InChI=1S/C28H32N4O2.2C28H31N3O2.C27H31N3O2.C26H30N4O/c1-17-15-19(32-24-12-14-30-27-21(24)8-10-25(27)33)7-9-23(17)29-13-11-18-16-31-26-20(18)5-4-6-22(26)28(2,3)34;1-17-15-21(31-25-13-14-29-28-24(25)11-12-26(28)33)10-9-19(17)5-3-6-20-16-30-27-22(18(2)32)7-4-8-23(20)27;1-18-16-22(31-25-12-14-29-28-24(25)10-11-26(28)33)9-8-19(18)4-2-6-21-17-30-27-20(13-15-32)5-3-7-23(21)27;1-18-14-21(30-22-12-13-28-23(15-22)17-31)11-10-19(18)6-4-7-20-16-29-26-24(20)8-5-9-25(26)27(2,3)32;1-17(2)26(31)23-6-4-5-22-19(16-29-25(22)23)9-14-28-24-8-7-21(15-18(24)3)30-20-10-12-27-13-11-20/h4-7,9,12,14-16,25,29,31,33-34H,8,10-11,13H2,1-3H3,(H,30,32);4,7-10,13-16,18,26,30,32-33H,3,5-6,11-12H2,1-2H3,(H,29,31);3,5,7-9,12,14,16-17,26,30,32-33H,2,4,6,10-11,13,15H2,1H3,(H,29,31);5,8-16,29,31-32H,4,6-7,17H2,1-3H3,(H,28,30);4-8,10-13,15-17,26,28-29,31H,9,14H2,1-3H3,(H,27,30)/t25-;18?,26-;;;/m11.../s1.

What are the key properties of 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol?

4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol has a molecular weight of 2183.86 g/mol, XLogP of 28.07, 38 rotatable bonds, 21 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[7-(2-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;(7R)-4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-[3-[3-[4-[[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylphenyl]propyl]-1H-indol-7-yl]propan-2-ol;(7R)-4-[4-[2-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]ethylamino]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol;2-methyl-1-[3-[2-[2-methyl-4-(pyridin-4-ylamino)anilino]ethyl]-1H-indol-7-yl]propan-1-ol is sourced from PubChem (CID 158196239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).