4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C27H29N3O — CID 130217344

About 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 130217344) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

• Compound Name: 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• PubChem CID: 130217344
• Molecular Formula: C27H29N3O
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.23
• IUPAC Name: 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• SMILES: CC(Cc1ccc(NCCc2c[nH]c3ccccc23)cc1)c1ccnc2c1CCC2O
• InChI: InChI=1S/C27H29N3O/c1-18(22-13-15-29-27-24(22)10-11-26(27)31)16-19-6-8-21(9-7-19)28-14-12-20-17-30-25-5-3-2-4-23(20)25/h2-9,13,15,17-18,26,28,30-31H,10-12,14,16H2,1H3
• InChIKey: LEKXSGNYELAWGD-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 60.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The IUPAC name of 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 130217344) is 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

What is the SMILES notation for 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The canonical SMILES for 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is CC(Cc1ccc(NCCc2c[nH]c3ccccc23)cc1)c1ccnc2c1CCC2O.

What is the InChIKey of 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The InChIKey is LEKXSGNYELAWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-18(22-13-15-29-27-24(22)10-11-26(27)31)16-19-6-8-21(9-7-19)28-14-12-20-17-30-25-5-3-2-4-23(20)25/h2-9,13,15,17-18,26,28,30-31H,10-12,14,16H2,1H3.

What are the key properties of 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 411.55 g/mol, XLogP of 5.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 130217344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).