(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

C109H124N14O7 — CID 157155525

About (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

(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 157155525) has the molecular formula C109H124N14O7 and a molecular weight of 1742.28 g/mol. Its IUPAC name is (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: (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: 157155525
• Molecular Formula: C109H124N14O7
• Molecular Weight: 1742.28 g/mol
• Exact Mass: 1740.98
• IUPAC Name: (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(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.C28H31N3O2.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;1-18-14-21(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);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: ALTKGAHPNMTLIU-WTUGGXOWSA-N
• XLogP: 22.77
• TPSA: 328.51 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1742.28
LogP ≤ 5	22.77
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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 (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 157155525) is (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 (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 (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(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 (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 ALTKGAHPNMTLIU-WTUGGXOWSA-N. The full InChI is InChI=1S/C28H32N4O2.C28H31N3O2.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;1-18-14-21(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);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 (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?

(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 1742.28 g/mol, XLogP of 22.77, 30 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (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 157155525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).