4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C25H25N3O — CID 58170570

About 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 58170570) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

• Compound Name: 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• PubChem CID: 58170570
• Molecular Formula: C25H25N3O
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.20
• IUPAC Name: 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• SMILES: OC1CCc2c(Nc3ccc(CCCc4c[nH]c5ccccc45)cc3)ccnc21
• InChI: InChI=1S/C25H25N3O/c29-24-13-12-21-23(14-15-26-25(21)24)28-19-10-8-17(9-11-19)4-3-5-18-16-27-22-7-2-1-6-20(18)22/h1-2,6-11,14-16,24,27,29H,3-5,12-13H2,(H,26,28)
• InChIKey: UKSUXAPDMFTMLF-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 60.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 58170570) is 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

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

The canonical SMILES for 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is OC1CCc2c(Nc3ccc(CCCc4c[nH]c5ccccc45)cc3)ccnc21.

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

The InChIKey is UKSUXAPDMFTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c29-24-13-12-21-23(14-15-26-25(21)24)28-19-10-8-17(9-11-19)4-3-5-18-16-27-22-7-2-1-6-20(18)22/h1-2,6-11,14-16,24,27,29H,3-5,12-13H2,(H,26,28).

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

4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 383.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 58170570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).