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

C30H35N3O2 — CID 58533602

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

4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 58533602) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

• Compound Name: 4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• PubChem CID: 58533602
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• SMILES: Cc1cc(Nc2ccnc3c2CCC3O)ccc1CCCc1c[nH]c2c(CCC(C)O)cccc12
• InChI: InChI=1S/C30H35N3O2/c1-19-17-24(33-27-15-16-31-30-26(27)13-14-28(30)35)12-11-21(19)5-3-7-23-18-32-29-22(10-9-20(2)34)6-4-8-25(23)29/h4,6,8,11-12,15-18,20,28,32,34-35H,3,5,7,9-10,13-14H2,1-2H3,(H,31,33)
• InChIKey: YJNLLHXPBMRICH-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 81.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 58533602) is 4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

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

The canonical SMILES for 4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is Cc1cc(Nc2ccnc3c2CCC3O)ccc1CCCc1c[nH]c2c(CCC(C)O)cccc12.

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

The InChIKey is YJNLLHXPBMRICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-19-17-24(33-27-15-16-31-30-26(27)13-14-28(30)35)12-11-21(19)5-3-7-23-18-32-29-22(10-9-20(2)34)6-4-8-25(23)29/h4,6,8,11-12,15-18,20,28,32,34-35H,3,5,7,9-10,13-14H2,1-2H3,(H,31,33).

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

4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 469.63 g/mol, XLogP of 6.08, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[7-(3-hydroxybutyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 58533602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).